ethyl 5-acetyloxy-1-methyl-6,8-diphenyl-2-(piperidin-1-ylmethyl)pyrrolo[2,3-e]indazole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-1-methyl-6,8-diphenyl-2-(piperidin-1-ylmethyl)pyrrolo[2,3-e]indazole-3-carboxylate Openeye Name: ethyl 5-acetoxy-1-methyl-6,8-diphenyl-2-(1-piperidylmethyl)pyrrolo[2,3-e]indazole-3-carboxylate CAS Name: 5-acetyloxy-1-methyl-6,8-diphenyl-2-(1-piperidinylmethyl)-3-pyrrolo[2,3-e]indazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-1-methyl-6,8-diphenyl-2-(piperidin-1-ylmethyl)pyrrolo[2,3-e]indazole-3-carboxylate Traditional Name: 5-acetoxy-1-methyl-6,8-diphenyl-2-(piperidinomethyl)pyrrol[2,3-e]indazole-3-carboxylic acid ethyl ester Formula: C33H34N4O4 MolecularWeight: 550.64746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C3C(=C(C=C12)OC(=O)C)N(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C)CN6CCCCC6

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C3C(=C(C=C12)OC(=O)C)N(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C)CN6CCCCC6

InChI

InChI=1S/C33H34N4O4/c1-4-40-33(39)28-25-20-27(41-22(2)38)32-29(31(25)35(3)26(28)21-36-18-12-7-13-19-36)30(23-14-8-5-9-15-23)34-37(32)24-16-10-6-11-17-24/h5-6,8-11,14-17,20H,4,7,12-13,18-19,21H2,1-3H3