2-[4-(3,5-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-7,8-dimethyl-quinoline-3-carbonitrile

Systemtic Name: 2-[4-(3,5-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-7,8-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(3,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]-7,8-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[4-[(3,5-dimethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-7,8-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(3,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]-7,8-dimethylquinoline-3-carbonitrile Traditional Name: 2-[4-(3,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]-7,8-dimethyl-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(=CC(=C4)OC)OC)C#N)C

Isomeric SMILES

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

InChI

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