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

Systemtic Name: 4-[[2-chloranyl-6-methyl-4-[3-[(4-oxidanylpiperidin-1-yl)methyl]phenyl]phenyl]amino]-7-[3-[(4-oxidanylpiperidin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-[2-chloro-4-[3-[(4-hydroxy-1-piperidyl)methyl]phenyl]-6-methyl-anilino]-7-[3-[(4-hydroxy-1-piperidyl)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-[2-chloro-4-[3-[(4-hydroxy-1-piperidinyl)methyl]phenyl]-6-methylanilino]-7-[3-[(4-hydroxy-1-piperidinyl)methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-[2-chloro-4-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-6-methylanilino]-7-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-[2-chloro-4-[3-[(4-hydroxypiperidino)methyl]phenyl]-6-methyl-anilino]-7-[3-[(4-hydroxypiperidino)methyl]phenyl]quinoline-3-carbonitrile Formula: C41H42ClN5O2 MolecularWeight: 672.25748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=CC(=CC=C2)CN3CCC(CC3)O)Cl)NC4=C5C=CC(=CC5=NC=C4C#N)C6=CC(=CC=C6)CN7CCC(CC7)O

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=CC(=CC=C2)CN3CCC(CC3)O)Cl)NC4=C5C=CC(=CC5=NC=C4C#N)C6=CC(=CC=C6)CN7CCC(CC7)O

InChI

InChI=1S/C41H42ClN5O2/c1-27-18-33(31-7-3-5-29(20-31)26-47-16-12-36(49)13-17-47)21-38(42)40(27)45-41-34(23-43)24-44-39-22-32(8-9-37(39)41)30-6-2-4-28(19-30)25-46-14-10-35(48)11-15-46/h2-9,18-22,24,35-36,48-49H,10-17,25-26H2,1H3,(H,44,45)