(phenylmethyl) N-[(6S)-4-methyl-1-[(3-methylphenyl)methyl]-5-oxidanylidene-1,4-diazepan-6-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(6S)-4-methyl-1-[(3-methylphenyl)methyl]-5-oxidanylidene-1,4-diazepan-6-yl]carbamate Openeye Name: benzyl N-[(6S)-4-methyl-1-(m-tolylmethyl)-5-oxo-1,4-diazepan-6-yl]carbamate CAS Name: N-[(6S)-4-methyl-1-[(3-methylphenyl)methyl]-5-oxo-1,4-diazepan-6-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(6S)-4-methyl-1-[(3-methylphenyl)methyl]-5-oxo-1,4-diazepan-6-yl]carbamate Traditional Name: N-[(6S)-5-keto-4-methyl-1-(3-methylbenzyl)-1,4-diazepan-6-yl]carbamic acid benzyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(C(=O)C(C2)NC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(C(=O)[C@H](C2)NC(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O3/c1-17-7-6-10-19(13-17)14-25-12-11-24(2)21(26)20(15-25)23-22(27)28-16-18-8-4-3-5-9-18/h3-10,13,20H,11-12,14-16H2,1-2H3,(H,23,27)/t20-/m0/s1