N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]butanamide

Systemtic Name: N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]butanamide Openeye Name: N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]butanamide CAS Name: N-[1-methyl-2-[2-[4-(4-methyl-1-phthalazinyl)-1-piperazinyl]ethyl]-5-benzimidazolyl]butanamide IUPAC Name: N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]butanamide Traditional Name: N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazino]ethyl]benzimidazol-5-yl]butyramide Formula: C27H33N7O MolecularWeight: 471.59722

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CCN3CCN(CC3)C4=NN=C(C5=CC=CC=C54)C)C

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)N(C(=N2)CCN3CCN(CC3)C4=NN=C(C5=CC=CC=C54)C)C

InChI

InChI=1S/C27H33N7O/c1-4-7-26(35)28-20-10-11-24-23(18-20)29-25(32(24)3)12-13-33-14-16-34(17-15-33)27-22-9-6-5-8-21(22)19(2)30-31-27/h5-6,8-11,18H,4,7,12-17H2,1-3H3,(H,28,35)