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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[2-morpholinoethyl(o-tolylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-[2-(4-morpholinyl)ethyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[(2-methylbenzyl)-(2-morpholinoethyl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]methanone Formula: C29H41N5O3S MolecularWeight: 539.73254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CCN2CCOCC2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

Isomeric SMILES

CC1=CC=CC=C1CN(CCN2CCOCC2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

InChI

InChI=1S/C29H41N5O3S/c1-23-6-2-3-7-24(23)21-33(14-13-31-15-17-37-18-16-31)25-20-26(28(35)32-11-5-9-30-10-12-32)34(22-25)29(36)27-8-4-19-38-27/h2-4,6-8,19,25-26,30H,5,9-18,20-22H2,1H3