2-[(7-methyl-1H-indazol-5-yl)methyl]-4-oxidanylidene-4-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]butanoic acid

Systemtic Name: 2-[(7-methyl-1H-indazol-5-yl)methyl]-4-oxidanylidene-4-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]butanoic acid Openeye Name: 2-[(7-methyl-1H-indazol-5-yl)methyl]-4-oxo-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidyl]butanoic acid CAS Name: 2-[(7-methyl-1H-indazol-5-yl)methyl]-4-oxo-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinyl]butanoic acid IUPAC Name: 2-[(7-methyl-1H-indazol-5-yl)methyl]-4-oxo-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]butanoic acid Traditional Name: 4-keto-4-[4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidino]-2-[(7-methyl-1H-indazol-5-yl)methyl]butyric acid Formula: C27H31N5O4 MolecularWeight: 489.56614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)CC(CC(=O)N3CCC(CC3)N4CCC5=CC=CC=C5NC4=O)C(=O)O)C=NN2

Isomeric SMILES

CC1=C2C(=CC(=C1)CC(CC(=O)N3CCC(CC3)N4CCC5=CC=CC=C5NC4=O)C(=O)O)C=NN2

InChI

InChI=1S/C27H31N5O4/c1-17-12-18(14-21-16-28-30-25(17)21)13-20(26(34)35)15-24(33)31-9-7-22(8-10-31)32-11-6-19-4-2-3-5-23(19)29-27(32)36/h2-5,12,14,16,20,22H,6-11,13,15H2,1H3,(H,28,30)(H,29,36)(H,34,35)