methyl 1-[2-oxidanylidene-2-[(6-pyrrolidin-1-ylpyridin-3-yl)amino]ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[(6-pyrrolidin-1-ylpyridin-3-yl)amino]ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridyl)amino]ethyl]indole-3-carboxylate CAS Name: 1-[2-oxo-2-[[6-(1-pyrrolidinyl)-3-pyridinyl]amino]ethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-[(6-pyrrolidin-1-ylpyridin-3-yl)amino]ethyl]indole-3-carboxylate Traditional Name: 1-[2-keto-2-[(6-pyrrolidino-3-pyridyl)amino]ethyl]indole-3-carboxylic acid methyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CN=C(C=C3)N4CCCC4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CN=C(C=C3)N4CCCC4

InChI

InChI=1S/C21H22N4O3/c1-28-21(27)17-13-25(18-7-3-2-6-16(17)18)14-20(26)23-15-8-9-19(22-12-15)24-10-4-5-11-24/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3,(H,23,26)