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

Systemtic Name: azepan-1-yl-[5-[(3-methoxyphenyl)methyl-methyl-amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [1-allyl-5-[(3-methoxyphenyl)methyl-methyl-amino]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[5-[(3-methoxyphenyl)methyl-methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-[(3-methoxyphenyl)methyl-methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [1-allyl-5-[m-anisyl(methyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C26H36N4O2 MolecularWeight: 436.58964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O2/c1-4-14-30-24-13-12-21(28(2)19-20-10-9-11-22(17-20)32-3)18-23(24)25(27-30)26(31)29-15-7-5-6-8-16-29/h4,9-11,17,21H,1,5-8,12-16,18-19H2,2-3H3