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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-(2-methylpropyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[isobutyl(o-tolylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-(2-methylpropyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[isobutyl-(2-methylbenzyl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]methanone Formula: C27H38N4O2S MolecularWeight: 482.68122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC(C)C)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)N4CCCNCC4

Isomeric SMILES

CC1=CC=CC=C1CN(CC(C)C)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)N4CCCNCC4

InChI

InChI=1S/C27H38N4O2S/c1-20(2)17-30(18-22-9-5-4-8-21(22)3)23-16-24(26(32)29-13-7-11-28-12-14-29)31(19-23)27(33)25-10-6-15-34-25/h4-6,8-10,15,20,23-24,28H,7,11-14,16-19H2,1-3H3