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

Systemtic Name: 4-[(4-acetamidophenyl)methyl]-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: 4-[(4-acetamidophenyl)methyl]-N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[(4-acetamidophenyl)methyl]-N-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(4-acetamidophenyl)methyl]-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-acetamidobenzyl)-N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-1,4-diazepane-1-carboxamide Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C27H36N4O2/c1-20(2)23-8-6-9-24(18-23)27(4,5)29-26(33)31-15-7-14-30(16-17-31)19-22-10-12-25(13-11-22)28-21(3)32/h6,8-13,18H,1,7,14-17,19H2,2-5H3,(H,28,32)(H,29,33)