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

Systemtic Name: 2-[7-[(6-azanylpyridin-3-yl)carbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[7-[(6-amino-3-pyridyl)carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-[[(6-amino-3-pyridinyl)amino]-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[7-[(6-aminopyridin-3-yl)carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-[(6-amino-3-pyridyl)carbamoyl]-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Formula: C25H24N5O4- MolecularWeight: 458.48916

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C(=O)NC3=CN=C(C=C3)N)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)[O-]

Isomeric SMILES

C1C2=C(C=CC(=C2)C(=O)NC3=CN=C(C=C3)N)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)[O-]

InChI

InChI=1S/C25H25N5O4/c26-22-9-7-19(14-27-22)28-24(33)17-6-8-20-18(12-17)15-30(11-10-16-4-2-1-3-5-16)25(34)21(29-20)13-23(31)32/h1-9,12,14,21,29H,10-11,13,15H2,(H2,26,27)(H,28,33)(H,31,32)/p-1