1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-(2-methylpropyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-(2-methylpropyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[isobutyl(o-tolylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-(2-methylpropyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-(2-methylpropyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[isobutyl-(2-methylbenzyl)amino]-1-nicotinoyl-pyrrolidin-2-yl]methanone Formula: C28H39N5O2 MolecularWeight: 477.64156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC(C)C)C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)N4CCCNCC4

Isomeric SMILES

CC1=CC=CC=C1CN(CC(C)C)C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)N4CCCNCC4

InChI

InChI=1S/C28H39N5O2/c1-21(2)18-32(19-24-9-5-4-8-22(24)3)25-16-26(28(35)31-14-7-12-29-13-15-31)33(20-25)27(34)23-10-6-11-30-17-23/h4-6,8-11,17,21,25-26,29H,7,12-16,18-20H2,1-3H3