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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: [4-[benzyl(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone CAS Name: 1,4-diazepan-1-yl-[1-[oxo(3-pyridinyl)methyl]-4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]-2-pyrrolidinyl]methanone IUPAC Name: [4-[benzyl(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Traditional Name: [4-[benzyl(2-thenyl)amino]-1-nicotinoyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Formula: C28H33N5O2S MolecularWeight: 503.65892

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C28H33N5O2S/c34-27(23-9-4-11-30-18-23)33-20-24(17-26(33)28(35)31-14-6-12-29-13-15-31)32(21-25-10-5-16-36-25)19-22-7-2-1-3-8-22/h1-5,7-11,16,18,24,26,29H,6,12-15,17,19-21H2