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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[o-tolylmethyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-phenethylamino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[(2-methylbenzyl)-phenethyl-amino]-1-(2-thenoyl)pyrrolidin-2-yl]methanone Formula: C31H38N4O2S MolecularWeight: 530.72402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

Isomeric SMILES

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

InChI

InChI=1S/C31H38N4O2S/c1-24-9-5-6-12-26(24)22-34(18-14-25-10-3-2-4-11-25)27-21-28(30(36)33-17-8-15-32-16-19-33)35(23-27)31(37)29-13-7-20-38-29/h2-7,9-13,20,27-28,32H,8,14-19,21-23H2,1H3