2-(1-methylpyrrolidin-2-yl)ethyl 4-[[2-[(phenylmethyl)amino]pyridin-3-yl]methyl]piperazine-1-carboxylate

Systemtic Name: 2-(1-methylpyrrolidin-2-yl)ethyl 4-[[2-[(phenylmethyl)amino]pyridin-3-yl]methyl]piperazine-1-carboxylate Openeye Name: 2-(1-methylpyrrolidin-2-yl)ethyl 4-[[2-(benzylamino)-3-pyridyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(phenylmethyl)amino]-3-pyridinyl]methyl]-1-piperazinecarboxylic acid 2-(1-methyl-2-pyrrolidinyl)ethyl ester IUPAC Name: 2-(1-methylpyrrolidin-2-yl)ethyl 4-[[2-(benzylamino)pyridin-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[2-(benzylamino)-3-pyridyl]methyl]piperazine-1-carboxylic acid 2-(1-methylpyrrolidin-2-yl)ethyl ester Formula: C25H35N5O2 MolecularWeight: 437.5777

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CCOC(=O)N2CCN(CC2)CC3=C(N=CC=C3)NCC4=CC=CC=C4

Isomeric SMILES

CN1CCCC1CCOC(=O)N2CCN(CC2)CC3=C(N=CC=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C25H35N5O2/c1-28-13-6-10-23(28)11-18-32-25(31)30-16-14-29(15-17-30)20-22-9-5-12-26-24(22)27-19-21-7-3-2-4-8-21/h2-5,7-9,12,23H,6,10-11,13-20H2,1H3,(H,26,27)