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

Systemtic Name: azepan-1-yl-[5-(4-propan-2-ylpiperazin-1-yl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [1-allyl-5-(4-isopropylpiperazin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[5-(4-propan-2-yl-1-piperazinyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-(4-propan-2-ylpiperazin-1-yl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [1-allyl-5-(4-isopropylpiperazino)-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C24H39N5O MolecularWeight: 413.59936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCCCCC4

Isomeric SMILES

CC(C)N1CCN(CC1)C2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H39N5O/c1-4-11-29-22-10-9-20(27-16-14-26(15-17-27)19(2)3)18-21(22)23(25-29)24(30)28-12-7-5-6-8-13-28/h4,19-20H,1,5-18H2,2-3H3