2-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-7,8-dimethyl-quinoline-3-carbonitrile

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-7,8-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-7,8-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-7,8-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-7,8-dimethylquinoline-3-carbonitrile Traditional Name: 7,8-dimethyl-2-(4-veratroyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OC)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OC)C#N)C

InChI

InChI=1S/C26H28N4O3/c1-17-6-7-19-14-21(16-27)25(28-24(19)18(17)2)29-10-5-11-30(13-12-29)26(31)20-8-9-22(32-3)23(15-20)33-4/h6-9,14-15H,5,10-13H2,1-4H3