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

Systemtic Name: 1-[2-(1,4-diazepan-1-ylcarbonyl)-4-[2-methylpropyl-(phenylmethyl)amino]pyrrolidin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[4-[benzyl(isobutyl)amino]-2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-2-methoxy-ethanone CAS Name: 1-[2-[1,4-diazepan-1-yl(oxo)methyl]-4-[2-methylpropyl-(phenylmethyl)amino]-1-pyrrolidinyl]-2-methoxyethanone IUPAC Name: 1-[4-[benzyl(2-methylpropyl)amino]-2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-2-methoxyethanone Traditional Name: 1-[4-[benzyl(isobutyl)amino]-2-(1,4-diazepane-1-carbonyl)pyrrolidino]-2-methoxy-ethanone Formula: C24H38N4O3 MolecularWeight: 430.58352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38N4O3/c1-19(2)15-27(16-20-8-5-4-6-9-20)21-14-22(28(17-21)23(29)18-31-3)24(30)26-12-7-10-25-11-13-26/h4-6,8-9,19,21-22,25H,7,10-18H2,1-3H3