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

Systemtic Name: 4-[[2-chloranyl-4-[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-methyl-phenyl]amino]-7-[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-[2-chloro-4-[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-methyl-anilino]-7-[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-[2-chloro-4-[3-[(4-ethyl-1-piperazinyl)methyl]phenyl]-6-methylanilino]-7-[3-[(4-ethyl-1-piperazinyl)methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-[2-chloro-4-[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-methylanilino]-7-[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-[2-chloro-4-[3-[(4-ethylpiperazino)methyl]phenyl]-6-methyl-anilino]-7-[3-[(4-ethylpiperazino)methyl]phenyl]quinoline-3-carbonitrile Formula: C43H48ClN7 MolecularWeight: 698.34112

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=CC(=C2)C3=CC4=NC=C(C(=C4C=C3)NC5=C(C=C(C=C5Cl)C6=CC(=CC=C6)CN7CCN(CC7)CC)C)C#N

Isomeric SMILES

CCN1CCN(CC1)CC2=CC=CC(=C2)C3=CC4=NC=C(C(=C4C=C3)NC5=C(C=C(C=C5Cl)C6=CC(=CC=C6)CN7CCN(CC7)CC)C)C#N

InChI

InChI=1S/C43H48ClN7/c1-4-48-14-18-50(19-15-48)29-32-8-6-10-34(23-32)36-12-13-39-41(26-36)46-28-38(27-45)43(39)47-42-31(3)22-37(25-40(42)44)35-11-7-9-33(24-35)30-51-20-16-49(5-2)17-21-51/h6-13,22-26,28H,4-5,14-21,29-30H2,1-3H3,(H,46,47)