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

Systemtic Name: N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-4-(4-pyridylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-4-(4-pyridylmethyl)-1,4-diazepane-1-carboxamide Formula: C24H32N4O MolecularWeight: 392.53708

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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=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O/c1-19(2)21-7-5-8-22(17-21)24(3,4)26-23(29)28-14-6-13-27(15-16-28)18-20-9-11-25-12-10-20/h5,7-12,17H,1,6,13-16,18H2,2-4H3,(H,26,29)