4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(3-cyanopropylamino)methyl]quinoline-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(3-cyanopropylamino)methyl]quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-[(3-cyanopropylamino)methyl]quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(3-cyanopropylamino)methyl]-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(3-cyanopropylamino)methyl]quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-[(3-cyanopropylamino)methyl]quinoline-6-carbonitrile Formula: C23H22ClN5O MolecularWeight: 419.90668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CNCCCC#N)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CNCCCC#N)C#N)Cl

InChI

InChI=1S/C23H22ClN5O/c1-30-22-7-5-17(11-20(22)24)13-29-23-18(14-27-9-3-2-8-25)15-28-21-6-4-16(12-26)10-19(21)23/h4-7,10-11,15,27H,2-3,9,13-14H2,1H3,(H,28,29)