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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[o-tolylmethyl(tetrahydrofuran-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-(2-oxolanylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[(2-methylbenzyl)-(tetrahydrofurfuryl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]methanone Formula: C28H38N4O3S MolecularWeight: 510.69132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC2CCCO2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

Isomeric SMILES

CC1=CC=CC=C1CN(CC2CCCO2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)N5CCCNCC5

InChI

InChI=1S/C28H38N4O3S/c1-21-7-2-3-8-22(21)18-31(20-24-9-4-15-35-24)23-17-25(27(33)30-13-6-11-29-12-14-30)32(19-23)28(34)26-10-5-16-36-26/h2-3,5,7-8,10,16,23-25,29H,4,6,9,11-15,17-20H2,1H3