N-(2-azanylethyl)-1-[2-(4-chloranylphenoxy)ethanoyl]-2-cyclohexyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-[2-(4-chloranylphenoxy)ethanoyl]-2-cyclohexyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminoethyl)-1-[2-(4-chlorophenoxy)acetyl]-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminoethyl)-1-[2-(4-chlorophenoxy)-1-oxoethyl]-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminoethyl)-1-[2-(4-chlorophenoxy)acetyl]-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminoethyl)-1-[2-(4-chlorophenoxy)acetyl]-2-cyclohexyl-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C26H31ClN4O4 MolecularWeight: 499.00174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)COC4=CC=C(C=C4)Cl)C=CC(=C3)C(=O)NCCN

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)COC4=CC=C(C=C4)Cl)C=CC(=C3)C(=O)NCCN

InChI

InChI=1S/C26H31ClN4O4/c27-19-7-9-20(10-8-19)35-16-25(33)31-22-11-6-18(26(34)29-13-12-28)14-21(22)30-24(32)15-23(31)17-4-2-1-3-5-17/h6-11,14,17,23H,1-5,12-13,15-16,28H2,(H,29,34)(H,30,32)