methyl 4-[[4-[(3-methylphenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(3-methylphenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(m-tolylcarbamoyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-[(3-methylanilino)-oxomethyl]-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(3-methylphenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[4-(m-tolylcarbamoyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H27N3O3/c1-17-5-3-6-20(15-17)23-22(27)25-12-4-11-24(13-14-25)16-18-7-9-19(10-8-18)21(26)28-2/h3,5-10,15H,4,11-14,16H2,1-2H3,(H,23,27)