2-[7-[(6-azanylpyridin-2-yl)carbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[7-[(6-azanylpyridin-2-yl)carbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[7-[(6-amino-2-pyridyl)carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-[[(6-amino-2-pyridinyl)amino]-oxomethyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[7-[(6-aminopyridin-2-yl)carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-[(6-amino-2-pyridyl)carbamoyl]-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Formula: C18H18N5O4- MolecularWeight: 368.36662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)NC3=CC=CC(=N3)N)NC(C1=O)CC(=O)[O-]

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)NC3=CC=CC(=N3)N)NC(C1=O)CC(=O)[O-]

InChI

InChI=1S/C18H19N5O4/c1-23-9-11-7-10(17(26)22-15-4-2-3-14(19)21-15)5-6-12(11)20-13(18(23)27)8-16(24)25/h2-7,13,20H,8-9H2,1H3,(H,24,25)(H3,19,21,22,26)/p-1