methyl 1-[(3-cyanophenyl)methyl]-2-(pyridin-4-ylmethylcarbamoyl)indole-3-carboxylate

Systemtic Name: methyl 1-[(3-cyanophenyl)methyl]-2-(pyridin-4-ylmethylcarbamoyl)indole-3-carboxylate Openeye Name: methyl 1-[(3-cyanophenyl)methyl]-2-(4-pyridylmethylcarbamoyl)indole-3-carboxylate CAS Name: 1-[(3-cyanophenyl)methyl]-2-[oxo-(pyridin-4-ylmethylamino)methyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-cyanophenyl)methyl]-2-(pyridin-4-ylmethylcarbamoyl)indole-3-carboxylate Traditional Name: 1-(3-cyanobenzyl)-2-(4-pyridylmethylcarbamoyl)indole-3-carboxylic acid methyl ester Formula: C25H20N4O3 MolecularWeight: 424.4513

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C2=CC=CC=C21)CC3=CC=CC(=C3)C#N)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

COC(=O)C1=C(N(C2=CC=CC=C21)CC3=CC=CC(=C3)C#N)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C25H20N4O3/c1-32-25(31)22-20-7-2-3-8-21(20)29(16-19-6-4-5-18(13-19)14-26)23(22)24(30)28-15-17-9-11-27-12-10-17/h2-13H,15-16H2,1H3,(H,28,30)