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

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-5,7-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-5,7-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-5,7-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-5,7-dimethylquinoline-3-carbonitrile Traditional Name: 5,7-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=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OC)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OC)C#N)C

InChI

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