N-(2-azanylethyl)-2-cyclohexyl-1-(2-methoxyethanoyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(2-azanylethyl)-2-cyclohexyl-1-(2-methoxyethanoyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminoethyl)-2-cyclohexyl-1-(2-methoxyacetyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminoethyl)-2-cyclohexyl-1-(2-methoxy-1-oxoethyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminoethyl)-2-cyclohexyl-1-(2-methoxyacetyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminoethyl)-2-cyclohexyl-4-keto-1-(2-methoxyacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NCCN)C3CCCCC3

Isomeric SMILES

COCC(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NCCN)C3CCCCC3

InChI

InChI=1S/C21H30N4O4/c1-29-13-20(27)25-17-8-7-15(21(28)23-10-9-22)11-16(17)24-19(26)12-18(25)14-5-3-2-4-6-14/h7-8,11,14,18H,2-6,9-10,12-13,22H2,1H3,(H,23,28)(H,24,26)