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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-(phenylmethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: [4-[benzyl-[(3-methoxyphenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone CAS Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-(phenylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: [4-[benzyl-[(3-methoxyphenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Traditional Name: [4-[benzyl(m-anisyl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Formula: C30H36N4O3S MolecularWeight: 532.69684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(CC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

Isomeric SMILES

COC1=CC=CC(=C1)CN(CC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

InChI

InChI=1S/C30H36N4O3S/c1-37-26-11-5-10-24(18-26)21-33(20-23-8-3-2-4-9-23)25-19-27(29(35)32-15-7-13-31-14-16-32)34(22-25)30(36)28-12-6-17-38-28/h2-6,8-12,17-18,25,27,31H,7,13-16,19-22H2,1H3