2-butyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazine

Systemtic Name: 2-butyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazine Openeye Name: 2-butyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazine CAS Name: 2-butyl-4-[4-(4-chlorophenyl)-1-piperazinyl]-6-(1-piperazinyl)-1,3,5-triazine IUPAC Name: 2-butyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-6-piperazin-1-yl-1,3,5-triazine Traditional Name: 2-butyl-4-[4-(4-chlorophenyl)piperazino]-6-piperazino-s-triazine Formula: C21H30ClN7 MolecularWeight: 415.9628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NC(=N1)N2CCN(CC2)C3=CC=C(C=C3)Cl)N4CCNCC4

Isomeric SMILES

CCCCC1=NC(=NC(=N1)N2CCN(CC2)C3=CC=C(C=C3)Cl)N4CCNCC4

InChI

InChI=1S/C21H30ClN7/c1-2-3-4-19-24-20(28-11-9-23-10-12-28)26-21(25-19)29-15-13-27(14-16-29)18-7-5-17(22)6-8-18/h5-8,23H,2-4,9-16H2,1H3