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

Systemtic Name: 1,4-diazepan-1-yl-[4-[phenethyl-(phenylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: [4-[benzyl(phenethyl)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-[phenethyl-(phenylmethyl)amino]-2-pyrrolidinyl]methanone IUPAC Name: [4-[benzyl(phenethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Traditional Name: [4-[benzyl(phenethyl)amino]-1-nicotinoyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Formula: C31H37N5O2 MolecularWeight: 511.65778

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H37N5O2/c37-30(27-13-7-15-33-22-27)36-24-28(21-29(36)31(38)34-18-8-16-32-17-20-34)35(23-26-11-5-2-6-12-26)19-14-25-9-3-1-4-10-25/h1-7,9-13,15,22,28-29,32H,8,14,16-21,23-24H2