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

Systemtic Name: ethyl 5-acetyloxy-6,8-diphenyl-1-(phenylmethyl)-2-(piperidin-1-ylmethyl)pyrrolo[2,3-e]indazole-3-carboxylate Openeye Name: ethyl 5-acetoxy-1-benzyl-6,8-diphenyl-2-(1-piperidylmethyl)pyrrolo[2,3-e]indazole-3-carboxylate CAS Name: 5-acetyloxy-6,8-diphenyl-1-(phenylmethyl)-2-(1-piperidinylmethyl)-3-pyrrolo[2,3-e]indazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-1-benzyl-6,8-diphenyl-2-(piperidin-1-ylmethyl)pyrrolo[2,3-e]indazole-3-carboxylate Traditional Name: 5-acetoxy-1-benzyl-6,8-diphenyl-2-(piperidinomethyl)pyrrol[2,3-e]indazole-3-carboxylic acid ethyl ester Formula: C39H38N4O4 MolecularWeight: 626.74342

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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)CC6=CC=CC=C6)CN7CCCCC7

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)CC6=CC=CC=C6)CN7CCCCC7

InChI

InChI=1S/C39H38N4O4/c1-3-46-39(45)34-31-24-33(47-27(2)44)38-35(36(29-18-10-5-11-19-29)40-43(38)30-20-12-6-13-21-30)37(31)42(25-28-16-8-4-9-17-28)32(34)26-41-22-14-7-15-23-41/h4-6,8-13,16-21,24H,3,7,14-15,22-23,25-26H2,1-2H3