N-[(2-chlorophenyl)methyl]-4-(3-methylbut-2-enoyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-(3-methylbut-2-enoyl)-1,4-diazepane-1-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-(3-methylbut-2-enoyl)-1,4-diazepane-1-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-4-(3-methyl-1-oxobut-2-enyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-(3-methylbut-2-enoyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-chlorobenzyl)-4-(3-methylbut-2-enoyl)-1,4-diazepane-1-carboxamide Formula: C18H24ClN3O2 MolecularWeight: 349.85506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCCN(CC1)C(=O)NCC2=CC=CC=C2Cl)C

Isomeric SMILES

CC(=CC(=O)N1CCCN(CC1)C(=O)NCC2=CC=CC=C2Cl)C

InChI

InChI=1S/C18H24ClN3O2/c1-14(2)12-17(23)21-8-5-9-22(11-10-21)18(24)20-13-15-6-3-4-7-16(15)19/h3-4,6-7,12H,5,8-11,13H2,1-2H3,(H,20,24)