1-[4-(azepan-1-ylcarbonyl)phenyl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one

Systemtic Name: 1-[4-(azepan-1-ylcarbonyl)phenyl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one Openeye Name: 1-[4-(azepane-1-carbonyl)phenyl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one CAS Name: 1-[4-[1-azepanyl(oxo)methyl]phenyl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one IUPAC Name: 1-[4-(azepane-1-carbonyl)phenyl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one Traditional Name: 1-[4-(azepane-1-carbonyl)phenyl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one Formula: C23H29N3O2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC=C(C=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC=C(C=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H29N3O2/c1-16-21-19(14-23(2,3)15-20(21)27)26(24-16)18-10-8-17(9-11-18)22(28)25-12-6-4-5-7-13-25/h8-11H,4-7,12-15H2,1-3H3