1-[4-(5-ethylpyrimidin-2-yl)-1,4-diazepan-1-yl]-4-(phenylmethyl)phthalazine

Systemtic Name: 1-[4-(5-ethylpyrimidin-2-yl)-1,4-diazepan-1-yl]-4-(phenylmethyl)phthalazine Openeye Name: 1-benzyl-4-[4-(5-ethylpyrimidin-2-yl)-1,4-diazepan-1-yl]phthalazine CAS Name: 1-[4-(5-ethyl-2-pyrimidinyl)-1,4-diazepan-1-yl]-4-(phenylmethyl)phthalazine IUPAC Name: 1-benzyl-4-[4-(5-ethylpyrimidin-2-yl)-1,4-diazepan-1-yl]phthalazine Traditional Name: 1-benzyl-4-[4-(5-ethylpyrimidin-2-yl)-1,4-diazepan-1-yl]phthalazine Formula: C26H28N6 MolecularWeight: 424.54072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)N2CCCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CN=C(N=C1)N2CCCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N6/c1-2-20-18-27-26(28-19-20)32-14-8-13-31(15-16-32)25-23-12-7-6-11-22(23)24(29-30-25)17-21-9-4-3-5-10-21/h3-7,9-12,18-19H,2,8,13-17H2,1H3