propan-2-yl 2,4-dimethyl-5-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 2,4-dimethyl-5-[4-(o-tolylmethyl)-1,4-diazepane-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,4-dimethyl-5-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-(2-methylbenzyl)-1,4-diazepane-1-carbonyl]-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C24H33N3O3 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=C(C(=C(N3)C)C(=O)OC(C)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=C(C(=C(N3)C)C(=O)OC(C)C)C

InChI

InChI=1S/C24H33N3O3/c1-16(2)30-24(29)21-18(4)22(25-19(21)5)23(28)27-12-8-11-26(13-14-27)15-20-10-7-6-9-17(20)3/h6-7,9-10,16,25H,8,11-15H2,1-5H3