1-[2-(1,4-diazepan-1-ylcarbonyl)-4-[2-methylpropyl-(phenylmethyl)amino]pyrrolidin-1-yl]ethanone

Systemtic Name: 1-[2-(1,4-diazepan-1-ylcarbonyl)-4-[2-methylpropyl-(phenylmethyl)amino]pyrrolidin-1-yl]ethanone Openeye Name: 1-[4-[benzyl(isobutyl)amino]-2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone CAS Name: 1-[2-[1,4-diazepan-1-yl(oxo)methyl]-4-[2-methylpropyl-(phenylmethyl)amino]-1-pyrrolidinyl]ethanone IUPAC Name: 1-[4-[benzyl(2-methylpropyl)amino]-2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone Traditional Name: 1-[4-[benzyl(isobutyl)amino]-2-(1,4-diazepane-1-carbonyl)pyrrolidino]ethanone Formula: C23H36N4O2 MolecularWeight: 400.55754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CC=C1)C2CC(N(C2)C(=O)C)C(=O)N3CCCNCC3

Isomeric SMILES

CC(C)CN(CC1=CC=CC=C1)C2CC(N(C2)C(=O)C)C(=O)N3CCCNCC3

InChI

InChI=1S/C23H36N4O2/c1-18(2)15-26(16-20-8-5-4-6-9-20)21-14-22(27(17-21)19(3)28)23(29)25-12-7-10-24-11-13-25/h4-6,8-9,18,21-22,24H,7,10-17H2,1-3H3