[2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate

Systemtic Name: [2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate Openeye Name: [2-[benzyl(ethyl)amino]-2-oxo-ethyl] 3-(4-pyridylamino)-1H-indole-2-carboxylate CAS Name: 3-(pyridin-4-ylamino)-1H-indole-2-carboxylic acid [2-[ethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate Traditional Name: 3-(4-pyridylamino)-1H-indole-2-carboxylic acid [2-[benzyl(ethyl)amino]-2-keto-ethyl] ester Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3N2)NC4=CC=NC=C4

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3N2)NC4=CC=NC=C4

InChI

InChI=1S/C25H24N4O3/c1-2-29(16-18-8-4-3-5-9-18)22(30)17-32-25(31)24-23(27-19-12-14-26-15-13-19)20-10-6-7-11-21(20)28-24/h3-15,28H,2,16-17H2,1H3,(H,26,27)