3-(4-chlorophenyl)-4-oxidanylidene-N-[(3S)-2-oxidanylideneazepan-3-yl]phthalazine-1-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-4-oxidanylidene-N-[(3S)-2-oxidanylideneazepan-3-yl]phthalazine-1-carboxamide Openeye Name: 3-(4-chlorophenyl)-4-oxo-N-[(3S)-2-oxoazepan-3-yl]phthalazine-1-carboxamide CAS Name: 3-(4-chlorophenyl)-4-oxo-N-[(3S)-2-oxo-3-azepanyl]-1-phthalazinecarboxamide IUPAC Name: 3-(4-chlorophenyl)-4-oxo-N-[(3S)-2-oxoazepan-3-yl]phthalazine-1-carboxamide Traditional Name: 3-(4-chlorophenyl)-4-keto-N-[(3S)-2-ketoazepan-3-yl]phthalazine-1-carboxamide Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN4O3/c22-13-8-10-14(11-9-13)26-21(29)16-6-2-1-5-15(16)18(25-26)20(28)24-17-7-3-4-12-23-19(17)27/h1-2,5-6,8-11,17H,3-4,7,12H2,(H,23,27)(H,24,28)/t17-/m0/s1