N-cyclopropyl-3-[1-[4-(2,6-dimethylphenyl)piperazin-1-yl]phthalazin-6-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[1-[4-(2,6-dimethylphenyl)piperazin-1-yl]phthalazin-6-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[1-[4-(2,6-dimethylphenyl)piperazin-1-yl]phthalazin-6-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[1-[4-(2,6-dimethylphenyl)-1-piperazinyl]-6-phthalazinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[1-[4-(2,6-dimethylphenyl)piperazin-1-yl]phthalazin-6-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[1-[4-(2,6-dimethylphenyl)piperazino]phthalazin-6-yl]-4-methyl-benzamide Formula: C31H33N5O MolecularWeight: 491.62662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2CCN(CC2)C3=C4C=CC(=CC4=CN=N3)C5=C(C=CC(=C5)C(=O)NC6CC6)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2CCN(CC2)C3=C4C=CC(=CC4=CN=N3)C5=C(C=CC(=C5)C(=O)NC6CC6)C

InChI

InChI=1S/C31H33N5O/c1-20-7-8-24(31(37)33-26-10-11-26)18-28(20)23-9-12-27-25(17-23)19-32-34-30(27)36-15-13-35(14-16-36)29-21(2)5-4-6-22(29)3/h4-9,12,17-19,26H,10-11,13-16H2,1-3H3,(H,33,37)