(1-cyclohexyl-2,4,7-triphenyl-pyrrolo[2,3-d]pyridazin-3-yl)-phenyl-methanone

Systemtic Name: (1-cyclohexyl-2,4,7-triphenyl-pyrrolo[2,3-d]pyridazin-3-yl)-phenyl-methanone Openeye Name: (1-cyclohexyl-2,4,7-triphenyl-pyrrolo[2,3-d]pyridazin-3-yl)-phenyl-methanone CAS Name: (1-cyclohexyl-2,4,7-triphenyl-3-pyrrolo[2,3-d]pyridazinyl)-phenylmethanone IUPAC Name: (1-cyclohexyl-2,4,7-triphenylpyrrolo[2,3-d]pyridazin-3-yl)-phenylmethanone Traditional Name: (1-cyclohexyl-2,4,7-triphenyl-pyrrolo[2,3-d]pyridazin-3-yl)-phenyl-methanone Formula: C37H31N3O MolecularWeight: 534.654195

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=C(C3=C2C(=NN=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CCC(CC1)N2C(=C(C3=C2[13C](=NN=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C37H31N3O/c41-37(29-22-12-4-13-23-29)32-31-33(26-16-6-1-7-17-26)38-39-34(27-18-8-2-9-19-27)36(31)40(30-24-14-5-15-25-30)35(32)28-20-10-3-11-21-28/h1-4,6-13,16-23,30H,5,14-15,24-25H2/i34+1