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

Systemtic Name: 2-[4-(2-methoxyphenyl)carbonyl-1,4-diazepan-1-yl]-5,7-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-5,7-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[4-[(2-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-5,7-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-5,7-dimethylquinoline-3-carbonitrile Traditional Name: 5,7-dimethyl-2-(4-o-anisoyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=O)C4=CC=CC=C4OC)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=O)C4=CC=CC=C4OC)C#N)C

InChI

InChI=1S/C25H26N4O2/c1-17-13-18(2)21-15-19(16-26)24(27-22(21)14-17)28-9-6-10-29(12-11-28)25(30)20-7-4-5-8-23(20)31-3/h4-5,7-8,13-15H,6,9-12H2,1-3H3