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

Systemtic Name: 4-[(1-methylimidazol-2-yl)methyl]-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide CAS Name: N-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(1-methylimidazol-2-yl)methyl]-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide Formula: C23H33N5O MolecularWeight: 395.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCCN(CC2)CC3=NC=CN3C

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCCN(CC2)CC3=NC=CN3C

InChI

InChI=1S/C23H33N5O/c1-18(2)19-8-6-9-20(16-19)23(3,4)25-22(29)28-12-7-11-27(14-15-28)17-21-24-10-13-26(21)5/h6,8-10,13,16H,1,7,11-12,14-15,17H2,2-5H3,(H,25,29)