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

Systemtic Name: 1-(phenylmethyl)-4-[4-(5-propylpyrimidin-2-yl)-1,4-diazepan-1-yl]phthalazine Openeye Name: 1-benzyl-4-[4-(5-propylpyrimidin-2-yl)-1,4-diazepan-1-yl]phthalazine CAS Name: 1-(phenylmethyl)-4-[4-(5-propyl-2-pyrimidinyl)-1,4-diazepan-1-yl]phthalazine IUPAC Name: 1-benzyl-4-[4-(5-propylpyrimidin-2-yl)-1,4-diazepan-1-yl]phthalazine Traditional Name: 1-benzyl-4-[4-(5-propylpyrimidin-2-yl)-1,4-diazepan-1-yl]phthalazine Formula: C27H30N6 MolecularWeight: 438.5673

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)N2CCCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CCCC1=CN=C(N=C1)N2CCCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H30N6/c1-2-9-22-19-28-27(29-20-22)33-15-8-14-32(16-17-33)26-24-13-7-6-12-23(24)25(30-31-26)18-21-10-4-3-5-11-21/h3-7,10-13,19-20H,2,8-9,14-18H2,1H3