4-[[2-chloranyl-6-methyl-4-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]phenyl]amino]-7-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]quinoline-3-carbonitrile

Systemtic Name: 4-[[2-chloranyl-6-methyl-4-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]phenyl]amino]-7-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-[2-chloro-6-methyl-4-[3-[(4-pyrrolidin-1-yl-1-piperidyl)methyl]phenyl]anilino]-7-[3-[(4-pyrrolidin-1-yl-1-piperidyl)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-[2-chloro-6-methyl-4-[3-[[4-(1-pyrrolidinyl)-1-piperidinyl]methyl]phenyl]anilino]-7-[3-[[4-(1-pyrrolidinyl)-1-piperidinyl]methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-[2-chloro-6-methyl-4-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]anilino]-7-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-[2-chloro-6-methyl-4-[3-[(4-pyrrolidinopiperidino)methyl]phenyl]anilino]-7-[3-[(4-pyrrolidinopiperidino)methyl]phenyl]quinoline-3-carbonitrile Formula: C49H56ClN7 MolecularWeight: 778.46884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=CC(=CC=C2)CN3CCC(CC3)N4CCCC4)Cl)NC5=C6C=CC(=CC6=NC=C5C#N)C7=CC(=CC=C7)CN8CCC(CC8)N9CCCC9

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=CC(=CC=C2)CN3CCC(CC3)N4CCCC4)Cl)NC5=C6C=CC(=CC6=NC=C5C#N)C7=CC(=CC=C7)CN8CCC(CC8)N9CCCC9

InChI

InChI=1S/C49H56ClN7/c1-35-26-41(39-11-7-9-37(28-39)34-55-24-16-44(17-25-55)57-20-4-5-21-57)29-46(50)48(35)53-49-42(31-51)32-52-47-30-40(12-13-45(47)49)38-10-6-8-36(27-38)33-54-22-14-43(15-23-54)56-18-2-3-19-56/h6-13,26-30,32,43-44H,2-5,14-25,33-34H2,1H3,(H,52,53)