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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2CN(C(=O)C1(CC(=O)OC(=O)NC)C3=CC(=NC=C3)N)CCC4=CC=CC=C4

Isomeric SMILES

CCN1C2=CC=CC=C2CN(C(=O)C1(CC(=O)OC(=O)NC)C3=CC(=NC=C3)N)CCC4=CC=CC=C4

InChI

InChI=1S/C28H31N5O4/c1-3-33-23-12-8-7-11-21(23)19-32(16-14-20-9-5-4-6-10-20)26(35)28(33,18-25(34)37-27(36)30-2)22-13-15-31-24(29)17-22/h4-13,15,17H,3,14,16,18-19H2,1-2H3,(H2,29,31)(H,30,36)