N-[4-(azepan-1-yl)phenyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C25H30N4O2/c1-18(2)17-29-25(31)22-10-6-5-9-21(22)23(27-29)24(30)26-19-11-13-20(14-12-19)28-15-7-3-4-8-16-28/h5-6,9-14,18H,3-4,7-8,15-17H2,1-2H3,(H,26,30)