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

Systemtic Name: (phenylmethyl) N-[1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-6-yl]carbamate Openeye Name: benzyl N-[1-methyl-4-(m-tolylmethyl)-1,4-diazepan-6-yl]carbamate CAS Name: N-[1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-6-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-6-yl]carbamate Traditional Name: N-[1-methyl-4-(3-methylbenzyl)-1,4-diazepan-6-yl]carbamic acid benzyl ester Formula: C22H29N3O2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2/c1-18-7-6-10-20(13-18)14-25-12-11-24(2)15-21(16-25)23-22(26)27-17-19-8-4-3-5-9-19/h3-10,13,21H,11-12,14-17H2,1-2H3,(H,23,26)