pyridin-4-yl 2-[4-(2-cyclohexylethyl)-8-[ethyl(methyl)carbamoyl]-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: pyridin-4-yl 2-[4-(2-cyclohexylethyl)-8-[ethyl(methyl)carbamoyl]-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 4-pyridyl 2-[4-(2-cyclohexylethyl)-8-[ethyl(methyl)carbamoyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[4-(2-cyclohexylethyl)-8-[[ethyl(methyl)amino]-oxomethyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid pyridin-4-yl ester IUPAC Name: pyridin-4-yl 2-[4-(2-cyclohexylethyl)-8-[ethyl(methyl)carbamoyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[4-(2-cyclohexylethyl)-8-[ethyl(methyl)carbamoyl]-3-keto-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid 4-pyridyl ester Formula: C28H36N4O4 MolecularWeight: 492.60984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(=O)C1=CC2=C(CN(C(=O)C(N2)CC(=O)OC3=CC=NC=C3)CCC4CCCCC4)C=C1

Isomeric SMILES

CCN(C)C(=O)C1=CC2=C(CN(C(=O)C(N2)CC(=O)OC3=CC=NC=C3)CCC4CCCCC4)C=C1

InChI

InChI=1S/C28H36N4O4/c1-3-31(2)27(34)21-9-10-22-19-32(16-13-20-7-5-4-6-8-20)28(35)25(30-24(22)17-21)18-26(33)36-23-11-14-29-15-12-23/h9-12,14-15,17,20,25,30H,3-8,13,16,18-19H2,1-2H3