[4-(4-methyl-1,4-diazepan-1-yl)phthalazin-1-yl]-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]methanone

Systemtic Name: [4-(4-methyl-1,4-diazepan-1-yl)phthalazin-1-yl]-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]methanone Openeye Name: [4-(4-methyl-1,4-diazepan-1-yl)phthalazin-1-yl]-[4-[2-(1-piperidyl)ethyl]piperazin-1-yl]methanone CAS Name: [4-(4-methyl-1,4-diazepan-1-yl)-1-phthalazinyl]-[4-[2-(1-piperidinyl)ethyl]-1-piperazinyl]methanone IUPAC Name: [4-(4-methyl-1,4-diazepan-1-yl)phthalazin-1-yl]-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]methanone Traditional Name: [4-(4-methyl-1,4-diazepan-1-yl)phthalazin-1-yl]-[4-(2-piperidinoethyl)piperazino]methanone Formula: C26H39N7O MolecularWeight: 465.63416

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=NN=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)CCN5CCCCC5

Isomeric SMILES

CN1CCCN(CC1)C2=NN=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)CCN5CCCCC5

InChI

InChI=1S/C26H39N7O/c1-29-10-7-13-32(19-14-29)25-23-9-4-3-8-22(23)24(27-28-25)26(34)33-20-17-31(18-21-33)16-15-30-11-5-2-6-12-30/h3-4,8-9H,2,5-7,10-21H2,1H3