1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[o-tolylmethyl(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[(2-methylbenzyl)-(2-thenyl)amino]-1-nicotinoyl-pyrrolidin-2-yl]methanone Formula: C29H35N5O2S MolecularWeight: 517.6855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC2=CC=CS2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCCNCC5

Isomeric SMILES

CC1=CC=CC=C1CN(CC2=CC=CS2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCCNCC5

InChI

InChI=1S/C29H35N5O2S/c1-22-7-2-3-8-24(22)19-33(21-26-10-5-16-37-26)25-17-27(29(36)32-14-6-12-30-13-15-32)34(20-25)28(35)23-9-4-11-31-18-23/h2-5,7-11,16,18,25,27,30H,6,12-15,17,19-21H2,1H3