3-[[4-(4-cyclohexylpiperazin-1-yl)carbonylphenyl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(4-cyclohexylpiperazin-1-yl)carbonylphenyl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[4-(4-cyclohexylpiperazine-1-carbonyl)benzyl]-1,2,3-benzotriazin-4-one Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H29N5O2/c31-24(29-16-14-28(15-17-29)21-6-2-1-3-7-21)20-12-10-19(11-13-20)18-30-25(32)22-8-4-5-9-23(22)26-27-30/h4-5,8-13,21H,1-3,6-7,14-18H2