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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-(propylaminomethyl)quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-(propylaminomethyl)quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(propylaminomethyl)-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(propylaminomethyl)quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-(propylaminomethyl)quinoline-6-carbonitrile Formula: C22H23ClN4O MolecularWeight: 394.89722

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C#N

Isomeric SMILES

CCCNCC1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C#N

InChI

InChI=1S/C22H23ClN4O/c1-3-8-25-13-17-14-26-20-6-4-15(11-24)9-18(20)22(17)27-12-16-5-7-21(28-2)19(23)10-16/h4-7,9-10,14,25H,3,8,12-13H2,1-2H3,(H,26,27)