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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-(ethylaminomethyl)quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-(ethylaminomethyl)quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(ethylaminomethyl)-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(ethylaminomethyl)quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-(ethylaminomethyl)quinoline-6-carbonitrile Formula: C21H21ClN4O MolecularWeight: 380.87064

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C#N

Isomeric SMILES

CCNCC1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)C#N

InChI

InChI=1S/C21H21ClN4O/c1-3-24-12-16-13-25-19-6-4-14(10-23)8-17(19)21(16)26-11-15-5-7-20(27-2)18(22)9-15/h4-9,13,24H,3,11-12H2,1-2H3,(H,25,26)