methyl 2-azanyl-5-[(E)-3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxidanylidene-prop-1-enyl]pyridine-3-carboxylate

Systemtic Name: methyl 2-azanyl-5-[(E)-3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxidanylidene-prop-1-enyl]pyridine-3-carboxylate Openeye Name: methyl 2-amino-5-[(E)-3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxo-prop-1-enyl]pyridine-3-carboxylate CAS Name: 2-amino-5-[(E)-3-[methyl-[(1-methyl-3-indolyl)methyl]amino]-3-oxoprop-1-enyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-amino-5-[(E)-3-[methyl-[(1-methylindol-3-yl)methyl]amino]-3-oxoprop-1-enyl]pyridine-3-carboxylate Traditional Name: 2-amino-5-[(E)-3-keto-3-[methyl-[(1-methylindol-3-yl)methyl]amino]prop-1-enyl]nicotinic acid methyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CN(C)C(=O)C=CC3=CC(=C(N=C3)N)C(=O)OC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CN(C)C(=O)/C=C/C3=CC(=C(N=C3)N)C(=O)OC

InChI

InChI=1S/C21H22N4O3/c1-24-12-15(16-6-4-5-7-18(16)24)13-25(2)19(26)9-8-14-10-17(21(27)28-3)20(22)23-11-14/h4-12H,13H2,1-3H3,(H2,22,23)/b9-8+