N-(3-chlorophenyl)-4-(4-methyl-1,4-diazepan-1-yl)phthalazine-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-(4-methyl-1,4-diazepan-1-yl)phthalazine-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-(4-methyl-1,4-diazepan-1-yl)phthalazine-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-(4-methyl-1,4-diazepan-1-yl)-1-phthalazinecarboxamide IUPAC Name: N-(3-chlorophenyl)-4-(4-methyl-1,4-diazepan-1-yl)phthalazine-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-(4-methyl-1,4-diazepan-1-yl)phthalazine-1-carboxamide Formula: C21H22ClN5O MolecularWeight: 395.88528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O/c1-26-10-5-11-27(13-12-26)20-18-9-3-2-8-17(18)19(24-25-20)21(28)23-16-7-4-6-15(22)14-16/h2-4,6-9,14H,5,10-13H2,1H3,(H,23,28)