1-[6-methoxy-3-(4-pyrrolidin-1-ylphenyl)carbonyl-indazol-1-yl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[6-methoxy-3-(4-pyrrolidin-1-ylphenyl)carbonyl-indazol-1-yl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[6-methoxy-3-(4-pyrrolidin-1-ylbenzoyl)indazol-1-yl]-3,3-dimethyl-butan-2-one CAS Name: 1-[6-methoxy-3-[oxo-[4-(1-pyrrolidinyl)phenyl]methyl]-1-indazolyl]-3,3-dimethyl-2-butanone IUPAC Name: 1-[6-methoxy-3-(4-pyrrolidin-1-ylbenzoyl)indazol-1-yl]-3,3-dimethylbutan-2-one Traditional Name: 1-[6-methoxy-3-(4-pyrrolidinobenzoyl)indazol-1-yl]-3,3-dimethyl-butan-2-one Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=C(C=CC(=C2)OC)C(=N1)C(=O)C3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=C(C=CC(=C2)OC)C(=N1)C(=O)C3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C25H29N3O3/c1-25(2,3)22(29)16-28-21-15-19(31-4)11-12-20(21)23(26-28)24(30)17-7-9-18(10-8-17)27-13-5-6-14-27/h7-12,15H,5-6,13-14,16H2,1-4H3