(phenylmethyl) 1-[4-[3-(ethylamino)pyridin-2-yl]-2-methanoyl-piperazin-1-yl]indole-5-carboxylate

Systemtic Name: (phenylmethyl) 1-[4-[3-(ethylamino)pyridin-2-yl]-2-methanoyl-piperazin-1-yl]indole-5-carboxylate Openeye Name: benzyl 1-[4-[3-(ethylamino)-2-pyridyl]-2-formyl-piperazin-1-yl]indole-5-carboxylate CAS Name: 1-[4-[3-(ethylamino)-2-pyridinyl]-2-formyl-1-piperazinyl]-5-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[4-[3-(ethylamino)pyridin-2-yl]-2-formylpiperazin-1-yl]indole-5-carboxylate Traditional Name: 1-[4-[3-(ethylamino)-2-pyridyl]-2-formyl-piperazino]indole-5-carboxylic acid benzyl ester Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(N=CC=C1)N2CCN(C(C2)C=O)N3C=CC4=C3C=CC(=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CCNC1=C(N=CC=C1)N2CCN(C(C2)C=O)N3C=CC4=C3C=CC(=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O3/c1-2-29-25-9-6-13-30-27(25)31-15-16-32(24(18-31)19-34)33-14-12-22-17-23(10-11-26(22)33)28(35)36-20-21-7-4-3-5-8-21/h3-14,17,19,24,29H,2,15-16,18,20H2,1H3