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

Systemtic Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-(p-tolylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[(3-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[m-anisyl-(4-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=C(C=C1)CN(CC2=CC(=CC=C2)OC)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC(=CC=C2)OC)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)N5CCCNCC5

InChI

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