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

Systemtic Name: methylcarbamoyl 2-[1-[2-(2-azanylpyridin-4-yl)ethyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: methylcarbamoyl 2-[1-[2-(2-amino-4-pyridyl)ethyl]-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[1-[2-(2-amino-4-pyridinyl)ethyl]-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid methylcarbamoyl ester IUPAC Name: methylcarbamoyl 2-[1-[2-(2-aminopyridin-4-yl)ethyl]-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[1-[2-(2-amino-4-pyridyl)ethyl]-3-keto-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid methylcarbamoyl ester Formula: C28H31N5O4 MolecularWeight: 501.57684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N5O4/c1-30-28(36)37-26(34)18-24-27(35)32(15-12-20-7-3-2-4-8-20)19-22-9-5-6-10-23(22)33(24)16-13-21-11-14-31-25(29)17-21/h2-11,14,17,24H,12-13,15-16,18-19H2,1H3,(H2,29,31)(H,30,36)