2-[7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl N-(3,4-dimethylphenyl)carbamate

Systemtic Name: 2-[7-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl N-(3,4-dimethylphenyl)carbamate Openeye Name: 2-(4-benzyl-7-oxo-1,4-diazepan-1-yl)ethyl N-(3,4-dimethylphenyl)carbamate CAS Name: N-(3,4-dimethylphenyl)carbamic acid 2-[7-oxo-4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl ester IUPAC Name: 2-(4-benzyl-7-oxo-1,4-diazepan-1-yl)ethyl N-(3,4-dimethylphenyl)carbamate Traditional Name: N-(3,4-dimethylphenyl)carbamic acid 2-(4-benzyl-7-keto-1,4-diazepan-1-yl)ethyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)OCCN2CCN(CCC2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)OCCN2CCN(CCC2=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H29N3O3/c1-18-8-9-21(16-19(18)2)24-23(28)29-15-14-26-13-12-25(11-10-22(26)27)17-20-6-4-3-5-7-20/h3-9,16H,10-15,17H2,1-2H3,(H,24,28)