methyl 6-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[4-[3-(isopropylamino)-2-pyridyl]piperazine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[oxo-[4-[3-(propan-2-ylamino)-2-pyridinyl]-1-piperazinyl]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[4-[3-(isopropylamino)-2-pyridyl]piperazine-1-carbonyl]nicotinic acid methyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H25N5O3/c1-14(2)23-16-5-4-8-21-18(16)24-9-11-25(12-10-24)19(26)17-7-6-15(13-22-17)20(27)28-3/h4-8,13-14,23H,9-12H2,1-3H3