azepan-1-yl-[5-[(2,2-dimethyl-3-oxidanyl-propyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[5-[(2,2-dimethyl-3-oxidanyl-propyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [1-allyl-5-[(3-hydroxy-2,2-dimethyl-propyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [1-allyl-5-[(3-hydroxy-2,2-dimethyl-propyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C22H36N4O2 MolecularWeight: 388.54684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCCCCC3)CO

Isomeric SMILES

CC(C)(CNC1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCCCCC3)CO

InChI

InChI=1S/C22H36N4O2/c1-4-11-26-19-10-9-17(23-15-22(2,3)16-27)14-18(19)20(24-26)21(28)25-12-7-5-6-8-13-25/h4,17,23,27H,1,5-16H2,2-3H3