1-[4-(phenylmethyl)-1,4-diazepan-1-yl]butane-1,3-dione

Systemtic Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]butane-1,3-dione Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)butane-1,3-dione CAS Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]butane-1,3-dione IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)butane-1,3-dione Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)butane-1,3-dione Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)N1CCCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)CC(=O)N1CCCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O2/c1-14(19)12-16(20)18-9-5-8-17(10-11-18)13-15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3