6-(2H-indazol-3-ylmethyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-4-phenyl-1,4-diazepine-5,7-dione

Systemtic Name: 6-(2H-indazol-3-ylmethyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-4-phenyl-1,4-diazepine-5,7-dione Openeye Name: 6-(2H-indazol-3-ylmethyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-4-phenyl-1,4-diazepine-5,7-dione CAS Name: 6-(2H-indazol-3-ylmethyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-phenyl-1,4-diazepine-5,7-dione IUPAC Name: 6-(2H-indazol-3-ylmethyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-phenyl-1,4-diazepine-5,7-dione Traditional Name: 6-(2H-indazol-3-ylmethyl)-1-[2-keto-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-phenyl-1,4-diazepine-5,7-quinone Formula: C31H29N5O3 MolecularWeight: 519.59366

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC=CC=C2N1C(=O)CN3C=CN(C(=O)C(C3=O)CC4=C5C=CC=CC5=NN4)C6=CC=CC=C6

Isomeric SMILES

CC1CCC2=CC=CC=C2N1C(=O)CN3C=CN(C(=O)C(C3=O)CC4=C5C=CC=CC5=NN4)C6=CC=CC=C6

InChI

InChI=1S/C31H29N5O3/c1-21-15-16-22-9-5-8-14-28(22)36(21)29(37)20-34-17-18-35(23-10-3-2-4-11-23)31(39)25(30(34)38)19-27-24-12-6-7-13-26(24)32-33-27/h2-14,17-18,21,25H,15-16,19-20H2,1H3,(H,32,33)