6-[1-(7-methyl-1H-indazol-5-yl)-4-oxidanylidene-4-[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butan-2-yl]pyridine-3-carbaldehyde

Systemtic Name: 6-[1-(7-methyl-1H-indazol-5-yl)-4-oxidanylidene-4-[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butan-2-yl]pyridine-3-carbaldehyde Openeye Name: 6-[1-[(7-methyl-1H-indazol-5-yl)methyl]-3-oxo-3-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidyl]propyl]pyridine-3-carbaldehyde CAS Name: 6-[1-(7-methyl-1H-indazol-5-yl)-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]butan-2-yl]-3-pyridinecarboxaldehyde IUPAC Name: 6-[1-(7-methyl-1H-indazol-5-yl)-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butan-2-yl]pyridine-3-carbaldehyde Traditional Name: 6-[3-keto-3-[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidino]-1-[(7-methyl-1H-indazol-5-yl)methyl]propyl]nicotinaldehyde Formula: C31H32N6O3 MolecularWeight: 536.62418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)CC(CC(=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)C6=NC=C(C=C6)C=O)C=NN2

Isomeric SMILES

CC1=C2C(=CC(=C1)CC(CC(=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)C6=NC=C(C=C6)C=O)C=NN2

InChI

InChI=1S/C31H32N6O3/c1-20-12-22(14-25-17-33-35-30(20)25)13-24(27-7-6-21(19-38)16-32-27)15-29(39)36-10-8-26(9-11-36)37-18-23-4-2-3-5-28(23)34-31(37)40/h2-7,12,14,16-17,19,24,26H,8-11,13,15,18H2,1H3,(H,33,35)(H,34,40)