methylcarbamoyl 2-[3-oxidanylidene-4-phenethyl-1-(2-pyridin-4-ylethyl)-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: methylcarbamoyl 2-[3-oxidanylidene-4-phenethyl-1-(2-pyridin-4-ylethyl)-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: methylcarbamoyl 2-[3-oxo-4-phenethyl-1-[2-(4-pyridyl)ethyl]-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[3-oxo-4-phenethyl-1-(2-pyridin-4-ylethyl)-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid methylcarbamoyl ester IUPAC Name: methylcarbamoyl 2-[3-oxo-4-phenethyl-1-(2-pyridin-4-ylethyl)-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[3-keto-4-phenethyl-1-[2-(4-pyridyl)ethyl]-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid methylcarbamoyl ester Formula: C28H30N4O4 MolecularWeight: 486.5622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC(=O)CC1C(=O)N(CC2=CC=CC=C2N1CCC3=CC=NC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)OC(=O)CC1C(=O)N(CC2=CC=CC=C2N1CCC3=CC=NC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O4/c1-29-28(35)36-26(33)19-25-27(34)31(17-13-21-7-3-2-4-8-21)20-23-9-5-6-10-24(23)32(25)18-14-22-11-15-30-16-12-22/h2-12,15-16,25H,13-14,17-20H2,1H3,(H,29,35)