4-ethanoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-ethanoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: 4-acetyl-N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-1,4-diazepane-1-carboxamide CAS Name: 4-acetyl-N-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-acetyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: 4-acetyl-N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-1,4-diazepane-1-carboxamide Formula: C20H29N3O2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCCN(CC2)C(=O)C

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCCN(CC2)C(=O)C

InChI

InChI=1S/C20H29N3O2/c1-15(2)17-8-6-9-18(14-17)20(4,5)21-19(25)23-11-7-10-22(12-13-23)16(3)24/h6,8-9,14H,1,7,10-13H2,2-5H3,(H,21,25)