N-(4-methoxyphenyl)-4-(4-methyl-1,4-diazepan-1-yl)phthalazine-1-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-4-(4-methyl-1,4-diazepan-1-yl)phthalazine-1-carboxamide Openeye Name: N-(4-methoxyphenyl)-4-(4-methyl-1,4-diazepan-1-yl)phthalazine-1-carboxamide CAS Name: N-(4-methoxyphenyl)-4-(4-methyl-1,4-diazepan-1-yl)-1-phthalazinecarboxamide IUPAC Name: N-(4-methoxyphenyl)-4-(4-methyl-1,4-diazepan-1-yl)phthalazine-1-carboxamide Traditional Name: N-(4-methoxyphenyl)-4-(4-methyl-1,4-diazepan-1-yl)phthalazine-1-carboxamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=NN=C(C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)OC

Isomeric SMILES

CN1CCCN(CC1)C2=NN=C(C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25N5O2/c1-26-12-5-13-27(15-14-26)21-19-7-4-3-6-18(19)20(24-25-21)22(28)23-16-8-10-17(29-2)11-9-16/h3-4,6-11H,5,12-15H2,1-2H3,(H,23,28)