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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-[(2-methylphenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-(o-tolylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-[(2-methylphenyl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-[(2-methylphenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[m-anisyl-(2-methylbenzyl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]methanone Formula: C31H38N4O3S MolecularWeight: 546.72342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC2=CC(=CC=C2)OC)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

Isomeric SMILES

CC1=CC=CC=C1CN(CC2=CC(=CC=C2)OC)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

InChI

InChI=1S/C31H38N4O3S/c1-23-8-3-4-10-25(23)21-34(20-24-9-5-11-27(18-24)38-2)26-19-28(30(36)33-15-7-13-32-14-16-33)35(22-26)31(37)29-12-6-17-39-29/h3-6,8-12,17-18,26,28,32H,7,13-16,19-22H2,1-2H3