(3S)-3-methyl-1-[4-[(2-methylphenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]pentane-1,2-dione

Systemtic Name: (3S)-3-methyl-1-[4-[(2-methylphenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]pentane-1,2-dione Openeye Name: (3S)-3-methyl-1-[4-(o-tolylmethyl)-5-oxo-1,4-diazepan-1-yl]pentane-1,2-dione CAS Name: (3S)-3-methyl-1-[4-[(2-methylphenyl)methyl]-5-oxo-1,4-diazepan-1-yl]pentane-1,2-dione IUPAC Name: (3S)-3-methyl-1-[4-[(2-methylphenyl)methyl]-5-oxo-1,4-diazepan-1-yl]pentane-1,2-dione Traditional Name: (3S)-1-[5-keto-4-(2-methylbenzyl)-1,4-diazepan-1-yl]-3-methyl-pentane-1,2-dione Formula: C19H26N2O3 MolecularWeight: 330.42134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C(=O)N1CCC(=O)N(CC1)CC2=CC=CC=C2C

Isomeric SMILES

CC[C@H](C)C(=O)C(=O)N1CCC(=O)N(CC1)CC2=CC=CC=C2C

InChI

InChI=1S/C19H26N2O3/c1-4-14(2)18(23)19(24)20-10-9-17(22)21(12-11-20)13-16-8-6-5-7-15(16)3/h5-8,14H,4,9-13H2,1-3H3/t14-/m0/s1