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

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O2/c1-17-13-18(2)22-15-20(16-26)24(27-23(22)14-17)28-9-4-10-29(12-11-28)25(30)19-5-7-21(31-3)8-6-19/h5-8,13-15H,4,9-12H2,1-3H3