4-[1-(4-methylpentyl)-5-oxidanylidene-1,2,4-triazol-4-yl]-3-phenyl-2-piperazin-1-yl-benzenecarbonitrile

Systemtic Name: 4-[1-(4-methylpentyl)-5-oxidanylidene-1,2,4-triazol-4-yl]-3-phenyl-2-piperazin-1-yl-benzenecarbonitrile Openeye Name: 4-(1-isohexyl-5-oxo-1,2,4-triazol-4-yl)-3-phenyl-2-piperazin-1-yl-benzonitrile CAS Name: 4-[1-(4-methylpentyl)-5-oxo-1,2,4-triazol-4-yl]-3-phenyl-2-(1-piperazinyl)benzonitrile IUPAC Name: 4-[1-(4-methylpentyl)-5-oxo-1,2,4-triazol-4-yl]-3-phenyl-2-piperazin-1-ylbenzonitrile Traditional Name: 4-(1-isohexyl-5-keto-1,2,4-triazol-4-yl)-3-phenyl-2-piperazino-benzonitrile Formula: C25H30N6O MolecularWeight: 430.5453

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN1C(=O)N(C=N1)C2=C(C(=C(C=C2)C#N)N3CCNCC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCCN1C(=O)N(C=N1)C2=C(C(=C(C=C2)C#N)N3CCNCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N6O/c1-19(2)7-6-14-31-25(32)30(18-28-31)22-11-10-21(17-26)24(29-15-12-27-13-16-29)23(22)20-8-4-3-5-9-20/h3-5,8-11,18-19,27H,6-7,12-16H2,1-2H3