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

Systemtic Name: [4-[cyclopropyl-[(2-methylphenyl)methyl]amino]-1-(3-methoxyphenyl)carbonyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Openeye Name: [4-[cyclopropyl(o-tolylmethyl)amino]-1-(3-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone CAS Name: [4-[cyclopropyl-[(2-methylphenyl)methyl]amino]-1-[(3-methoxyphenyl)-oxomethyl]-2-pyrrolidinyl]-(1,4-diazepan-1-yl)methanone IUPAC Name: [4-[cyclopropyl-[(2-methylphenyl)methyl]amino]-1-(3-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Traditional Name: [4-[cyclopropyl-(2-methylbenzyl)amino]-1-m-anisoyl-pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone Formula: C29H38N4O3 MolecularWeight: 490.63702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C2CC2)C3CC(N(C3)C(=O)C4=CC(=CC=C4)OC)C(=O)N5CCCNCC5

Isomeric SMILES

CC1=CC=CC=C1CN(C2CC2)C3CC(N(C3)C(=O)C4=CC(=CC=C4)OC)C(=O)N5CCCNCC5

InChI

InChI=1S/C29H38N4O3/c1-21-7-3-4-8-23(21)19-32(24-11-12-24)25-18-27(29(35)31-15-6-13-30-14-16-31)33(20-25)28(34)22-9-5-10-26(17-22)36-2/h3-5,7-10,17,24-25,27,30H,6,11-16,18-20H2,1-2H3