1-(pyridin-3-ylmethyl)-4-[(4-pyrrol-1-ylphenyl)methyl]-1,4-diazepan-5-one

Systemtic Name: 1-(pyridin-3-ylmethyl)-4-[(4-pyrrol-1-ylphenyl)methyl]-1,4-diazepan-5-one Openeye Name: 1-(3-pyridylmethyl)-4-[(4-pyrrol-1-ylphenyl)methyl]-1,4-diazepan-5-one CAS Name: 1-(3-pyridinylmethyl)-4-[[4-(1-pyrrolyl)phenyl]methyl]-1,4-diazepan-5-one IUPAC Name: 1-(pyridin-3-ylmethyl)-4-[(4-pyrrol-1-ylphenyl)methyl]-1,4-diazepan-5-one Traditional Name: 1-(3-pyridylmethyl)-4-(4-pyrrol-1-ylbenzyl)-1,4-diazepan-5-one Formula: C22H24N4O MolecularWeight: 360.45216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC=C(C=C2)N3C=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC=C(C=C2)N3C=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C22H24N4O/c27-22-9-13-24(17-20-4-3-10-23-16-20)14-15-26(22)18-19-5-7-21(8-6-19)25-11-1-2-12-25/h1-8,10-12,16H,9,13-15,17-18H2