4-[4-[ethyl-[1-[4-(2-oxidanylidenepiperidin-1-yl)phenyl]propan-2-yl]amino]butyl]-1,4-diazepan-5-one

Systemtic Name: 4-[4-[ethyl-[1-[4-(2-oxidanylidenepiperidin-1-yl)phenyl]propan-2-yl]amino]butyl]-1,4-diazepan-5-one Openeye Name: 4-[4-[ethyl-[1-methyl-2-[4-(2-oxo-1-piperidyl)phenyl]ethyl]amino]butyl]-1,4-diazepan-5-one CAS Name: 4-[4-[ethyl-[1-[4-(2-oxo-1-piperidinyl)phenyl]propan-2-yl]amino]butyl]-1,4-diazepan-5-one IUPAC Name: 4-[4-[ethyl-[1-[4-(2-oxopiperidin-1-yl)phenyl]propan-2-yl]amino]butyl]-1,4-diazepan-5-one Traditional Name: 4-[4-[ethyl-[2-[4-(2-ketopiperidino)phenyl]-1-methyl-ethyl]amino]butyl]-1,4-diazepan-5-one Formula: C25H40N4O2 MolecularWeight: 428.6107

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCN1CCNCCC1=O)C(C)CC2=CC=C(C=C2)N3CCCCC3=O

Isomeric SMILES

CCN(CCCCN1CCNCCC1=O)C(C)CC2=CC=C(C=C2)N3CCCCC3=O

InChI

InChI=1S/C25H40N4O2/c1-3-27(16-6-7-17-28-19-15-26-14-13-24(28)30)21(2)20-22-9-11-23(12-10-22)29-18-5-4-8-25(29)31/h9-12,21,26H,3-8,13-20H2,1-2H3