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

Systemtic Name: 1,4-diazepan-1-yl-[4-[phenethyl-(phenylmethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: [4-[benzyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone CAS Name: 1,4-diazepan-1-yl-[1-[oxo(thiophen-2-yl)methyl]-4-[phenethyl-(phenylmethyl)amino]-2-pyrrolidinyl]methanone IUPAC Name: [4-[benzyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Traditional Name: [4-[benzyl(phenethyl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Formula: C30H36N4O2S MolecularWeight: 516.69744

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H36N4O2S/c35-29(32-17-8-15-31-16-19-32)27-21-26(23-34(27)30(36)28-13-7-20-37-28)33(22-25-11-5-2-6-12-25)18-14-24-9-3-1-4-10-24/h1-7,9-13,20,26-27,31H,8,14-19,21-23H2