2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]-N-quinolin-5-yl-propanamide

Systemtic Name: 2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[4-[2-(dimethylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]-N-(5-quinolyl)propanamide CAS Name: 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[4-[2-(dimethylamino)-2-keto-ethyl]-1,4-diazepan-1-yl]-N-(5-quinolyl)propionamide Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)N3CCCN(CC3)CC(=O)N(C)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)N3CCCN(CC3)CC(=O)N(C)C

InChI

InChI=1S/C21H29N5O2/c1-16(26-12-6-11-25(13-14-26)15-20(27)24(2)3)21(28)23-19-9-4-8-18-17(19)7-5-10-22-18/h4-5,7-10,16H,6,11-15H2,1-3H3,(H,23,28)