[1-[3-azanyl-2,6-bis(prop-2-enyl)-2H-1,3,5-triazin-4-yl]piperidin-4-yl] benzoate

Systemtic Name: [1-[3-azanyl-2,6-bis(prop-2-enyl)-2H-1,3,5-triazin-4-yl]piperidin-4-yl] benzoate Openeye Name: [1-(2,6-diallyl-3-amino-2H-1,3,5-triazin-4-yl)-4-piperidyl] benzoate CAS Name: benzoic acid [1-[3-amino-2,6-bis(prop-2-enyl)-2H-1,3,5-triazin-4-yl]-4-piperidinyl] ester IUPAC Name: [1-[3-amino-2,6-bis(prop-2-enyl)-2H-1,3,5-triazin-4-yl]piperidin-4-yl] benzoate Traditional Name: benzoic acid [1-(2,6-diallyl-3-amino-2H-s-triazin-4-yl)-4-piperidyl] ester Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1N=C(N=C(N1N)N2CCC(CC2)OC(=O)C3=CC=CC=C3)CC=C

Isomeric SMILES

C=CCC1N=C(N=C(N1N)N2CCC(CC2)OC(=O)C3=CC=CC=C3)CC=C

InChI

InChI=1S/C21H27N5O2/c1-3-8-18-23-19(9-4-2)26(22)21(24-18)25-14-12-17(13-15-25)28-20(27)16-10-6-5-7-11-16/h3-7,10-11,17,19H,1-2,8-9,12-15,22H2