3-(4-chlorophenyl)-5-(phenylmethyl)-N-(4-piperidin-1-ylbutyl)-1,2,4-triazin-6-amine

Systemtic Name: 3-(4-chlorophenyl)-5-(phenylmethyl)-N-(4-piperidin-1-ylbutyl)-1,2,4-triazin-6-amine Openeye Name: 5-benzyl-3-(4-chlorophenyl)-N-[4-(1-piperidyl)butyl]-1,2,4-triazin-6-amine CAS Name: 3-(4-chlorophenyl)-5-(phenylmethyl)-N-[4-(1-piperidinyl)butyl]-1,2,4-triazin-6-amine IUPAC Name: 5-benzyl-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)-1,2,4-triazin-6-amine Traditional Name: [5-benzyl-3-(4-chlorophenyl)-1,2,4-triazin-6-yl]-(4-piperidinobutyl)amine Formula: C25H30ClN5 MolecularWeight: 435.9922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCNC2=C(N=C(N=N2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CCCCNC2=C(N=C(N=N2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C25H30ClN5/c26-22-13-11-21(12-14-22)24-28-23(19-20-9-3-1-4-10-20)25(30-29-24)27-15-5-8-18-31-16-6-2-7-17-31/h1,3-4,9-14H,2,5-8,15-19H2,(H,27,30)