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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-[(2-methylphenyl)methyl]amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-(o-tolylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-[(2-methylphenyl)methyl]amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-[(2-methylphenyl)methyl]amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[m-anisyl-(2-methylbenzyl)amino]-1-nicotinoyl-pyrrolidin-2-yl]methanone Formula: C32H39N5O3 MolecularWeight: 541.68376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC2=CC(=CC=C2)OC)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCCNCC5

Isomeric SMILES

CC1=CC=CC=C1CN(CC2=CC(=CC=C2)OC)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCCNCC5

InChI

InChI=1S/C32H39N5O3/c1-24-8-3-4-10-27(24)22-36(21-25-9-5-12-29(18-25)40-2)28-19-30(32(39)35-16-7-14-33-15-17-35)37(23-28)31(38)26-11-6-13-34-20-26/h3-6,8-13,18,20,28,30,33H,7,14-17,19,21-23H2,1-2H3