6,7-diethoxy-4-[(phenylmethyl)amino]quinoline-3-carbonitrile

Systemtic Name: 6,7-diethoxy-4-[(phenylmethyl)amino]quinoline-3-carbonitrile Openeye Name: 4-(benzylamino)-6,7-diethoxy-quinoline-3-carbonitrile CAS Name: 6,7-diethoxy-4-[(phenylmethyl)amino]-3-quinolinecarbonitrile IUPAC Name: 4-(benzylamino)-6,7-diethoxyquinoline-3-carbonitrile Traditional Name: 4-(benzylamino)-6,7-diethoxy-quinoline-3-carbonitrile Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NCC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NCC3=CC=CC=C3)OCC

InChI

InChI=1S/C21H21N3O2/c1-3-25-19-10-17-18(11-20(19)26-4-2)23-14-16(12-22)21(17)24-13-15-8-6-5-7-9-15/h5-11,14H,3-4,13H2,1-2H3,(H,23,24)