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

Systemtic Name: azepan-1-yl-[5-[methyl-(phenylmethyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [1-allyl-5-[benzyl(methyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[5-[methyl-(phenylmethyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-[benzyl(methyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [1-allyl-5-[benzyl(methyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C25H34N4O MolecularWeight: 406.56366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCCCCC4

Isomeric SMILES

CN(CC1=CC=CC=C1)C2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H34N4O/c1-3-15-29-23-14-13-21(27(2)19-20-11-7-6-8-12-20)18-22(23)24(26-29)25(30)28-16-9-4-5-10-17-28/h3,6-8,11-12,21H,1,4-5,9-10,13-19H2,2H3