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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[o-tolylmethyl(phenethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(2-methylphenyl)methyl-phenethylamino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[(2-methylbenzyl)-phenethyl-amino]-1-nicotinoyl-pyrrolidin-2-yl]methanone Formula: C32H39N5O2 MolecularWeight: 525.68436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCCNCC5

Isomeric SMILES

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCCNCC5

InChI

InChI=1S/C32H39N5O2/c1-25-9-5-6-12-28(25)23-36(19-14-26-10-3-2-4-11-26)29-21-30(32(39)35-18-8-16-33-17-20-35)37(24-29)31(38)27-13-7-15-34-22-27/h2-7,9-13,15,22,29-30,33H,8,14,16-21,23-24H2,1H3