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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methylamino]-3-(hydroxymethyl)-1-pyrrol-1-yl-2,4-dihydrophthalazine-6-carbonitrile Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methylamino]-3-(hydroxymethyl)-1-pyrrol-1-yl-2,4-dihydrophthalazine-6-carbonitrile CAS Name: 1-[(3-bromo-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)-1-(1-pyrrolyl)-2,4-dihydrophthalazine-6-carbonitrile IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)-1-pyrrol-1-yl-2,4-dihydrophthalazine-6-carbonitrile Traditional Name: 1-[(3-bromo-4-methoxy-benzyl)amino]-3-methylol-1-pyrrol-1-yl-2,4-dihydrophthalazine-6-carbonitrile Formula: C22H22BrN5O2 MolecularWeight: 468.34638

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN5O2/c1-30-21-7-5-17(11-20(21)23)13-25-22(27-8-2-3-9-27)19-6-4-16(12-24)10-18(19)14-28(15-29)26-22/h2-11,25-26,29H,13-15H2,1H3