[4-(benzotriazol-1-ylmethyl)phenyl]-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: [4-(1-benzotriazolylmethyl)phenyl]-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]methanone Formula: C26H29N7O MolecularWeight: 455.55476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H29N7O/c1-18(2)25-27-19(3)16-24(28-25)31-12-14-32(15-13-31)26(34)21-10-8-20(9-11-21)17-33-23-7-5-4-6-22(23)29-30-33/h4-11,16,18H,12-15,17H2,1-3H3