azepan-1-yl-[5-(3-methylbutylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[5-(3-methylbutylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [1-allyl-5-(isopentylamino)-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[5-(3-methylbutylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-(3-methylbutylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [1-allyl-5-(isoamylamino)-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C22H36N4O MolecularWeight: 372.54744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCCCCC3

Isomeric SMILES

CC(C)CCNC1CCC2=C(C1)C(=NN2CC=C)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H36N4O/c1-4-13-26-20-10-9-18(23-12-11-17(2)3)16-19(20)21(24-26)22(27)25-14-7-5-6-8-15-25/h4,17-18,23H,1,5-16H2,2-3H3