3-[3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[3-[4-(m-tolylmethyl)piperazin-1-yl]-3-oxo-propyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[3-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-3-oxopropyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[3-keto-3-[4-(3-methylbenzyl)piperazino]propyl]-1,2,3-benzotriazin-4-one Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H25N5O2/c1-17-5-4-6-18(15-17)16-25-11-13-26(14-12-25)21(28)9-10-27-22(29)19-7-2-3-8-20(19)23-24-27/h2-8,15H,9-14,16H2,1H3