methyl 2-(1H-indazol-5-ylmethyl)-4-oxidanylidene-4-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=C(C=C1)NN=C2)CC(=O)N3CCC(CC3)N4CCC5=CC=CC=C5NC4=O

Isomeric SMILES

COC(=O)C(CC1=CC2=C(C=C1)NN=C2)CC(=O)N3CCC(CC3)N4CCC5=CC=CC=C5NC4=O

InChI

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