N-butyl-8-chloranyl-4-(cyclohexylmethyl)-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepine-3-carboxamide

Systemtic Name: N-butyl-8-chloranyl-4-(cyclohexylmethyl)-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepine-3-carboxamide Openeye Name: N-butyl-8-chloro-4-(cyclohexylmethyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide CAS Name: N-butyl-8-chloro-4-(cyclohexylmethyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide IUPAC Name: N-butyl-8-chloro-4-(cyclohexylmethyl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide Traditional Name: N-butyl-8-chloro-4-(cyclohexylmethyl)-2,5-diketo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1C(=O)NC2=C(C=CC(=C2)Cl)C(=O)N1CC3CCCCC3

Isomeric SMILES

CCCCNC(=O)C1C(=O)NC2=C(C=CC(=C2)Cl)C(=O)N1CC3CCCCC3

InChI

InChI=1S/C21H28ClN3O3/c1-2-3-11-23-19(26)18-20(27)24-17-12-15(22)9-10-16(17)21(28)25(18)13-14-7-5-4-6-8-14/h9-10,12,14,18H,2-8,11,13H2,1H3,(H,23,26)(H,24,27)