2-[8-[2-(2-azanylpyridin-4-yl)ethyl-methyl-carbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[8-[2-(2-azanylpyridin-4-yl)ethyl-methyl-carbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[8-[2-(2-amino-4-pyridyl)ethyl-methyl-carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[8-[[2-(2-amino-4-pyridinyl)ethyl-methylamino]-oxomethyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[8-[2-(2-aminopyridin-4-yl)ethyl-methylcarbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[8-[2-(2-amino-4-pyridyl)ethyl-methyl-carbamoyl]-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=C(C=C2)C(=O)N(C)CCC3=CC(=NC=C3)N)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=C(C=C2)C(=O)N(C)CCC3=CC(=NC=C3)N)NC(C1=O)CC(=O)O

InChI

InChI=1S/C21H25N5O4/c1-25(8-6-13-5-7-23-18(22)9-13)20(29)14-3-4-15-12-26(2)21(30)17(11-19(27)28)24-16(15)10-14/h3-5,7,9-10,17,24H,6,8,11-12H2,1-2H3,(H2,22,23)(H,27,28)