1-[(3-cyano-4-methoxy-phenyl)methylamino]-3-(hydroxymethyl)-1-pyrrol-1-yl-2,4-dihydrophthalazine-6-carbonitrile

Systemtic Name: 1-[(3-cyano-4-methoxy-phenyl)methylamino]-3-(hydroxymethyl)-1-pyrrol-1-yl-2,4-dihydrophthalazine-6-carbonitrile Openeye Name: 1-[(3-cyano-4-methoxy-phenyl)methylamino]-3-(hydroxymethyl)-1-pyrrol-1-yl-2,4-dihydrophthalazine-6-carbonitrile CAS Name: 1-[(3-cyano-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)-1-(1-pyrrolyl)-2,4-dihydrophthalazine-6-carbonitrile IUPAC Name: 1-[(3-cyano-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)-1-pyrrol-1-yl-2,4-dihydrophthalazine-6-carbonitrile Traditional Name: 1-[(3-cyano-4-methoxy-benzyl)amino]-3-methylol-1-pyrrol-1-yl-2,4-dihydrophthalazine-6-carbonitrile Formula: C23H22N6O2 MolecularWeight: 414.45978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2(C3=C(CN(N2)CO)C=C(C=C3)C#N)N4C=CC=C4)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2(C3=C(CN(N2)CO)C=C(C=C3)C#N)N4C=CC=C4)C#N

InChI

InChI=1S/C23H22N6O2/c1-31-22-7-5-18(11-19(22)13-25)14-26-23(28-8-2-3-9-28)21-6-4-17(12-24)10-20(21)15-29(16-30)27-23/h2-11,26-27,30H,14-16H2,1H3