1-[4-(4-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]-4-(phenylmethyl)phthalazine

Systemtic Name: 1-[4-(4-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]-4-(phenylmethyl)phthalazine Openeye Name: 1-benzyl-4-[4-(4-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]phthalazine CAS Name: 1-[4-(4-methyl-2-pyrimidinyl)-1,4-diazepan-1-yl]-4-(phenylmethyl)phthalazine IUPAC Name: 1-benzyl-4-[4-(4-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]phthalazine Traditional Name: 1-benzyl-4-[4-(4-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]phthalazine Formula: C25H26N6 MolecularWeight: 410.51414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)N2CCCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=NC(=NC=C1)N2CCCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N6/c1-19-12-13-26-25(27-19)31-15-7-14-30(16-17-31)24-22-11-6-5-10-21(22)23(28-29-24)18-20-8-3-2-4-9-20/h2-6,8-13H,7,14-18H2,1H3