4-[5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]carbonylpiperazine-1-carbaldehyde

Systemtic Name: 4-[5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]carbonylpiperazine-1-carbaldehyde Openeye Name: 4-[5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carbonyl]piperazine-1-carbaldehyde CAS Name: 4-[[5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carbonyl]piperazine-1-carbaldehyde Traditional Name: 4-[5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carbonyl]piperazine-1-carbaldehyde Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=NC(=NC=C3CC2)N4C(=C(C=N4)C(=O)N5CCN(CC5)C=O)C6CC6

Isomeric SMILES

COC1=CC2=C(C=C1)C3=NC(=NC=C3CC2)N4C(=C(C=N4)C(=O)N5CCN(CC5)C=O)C6CC6

InChI

InChI=1S/C25H26N6O3/c1-34-19-6-7-20-17(12-19)4-5-18-13-26-25(28-22(18)20)31-23(16-2-3-16)21(14-27-31)24(33)30-10-8-29(15-32)9-11-30/h6-7,12-16H,2-5,8-11H2,1H3