azepan-1-yl-[5-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[5-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: azepan-1-yl-[5-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]methanone CAS Name: 1-azepanyl-[5-[4-(2-ethoxyphenyl)-1-piperazinyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: azepan-1-yl-[1-methyl-5-(4-o-phenetylpiperazino)-4,5,6,7-tetrahydroindazol-3-yl]methanone Formula: C27H39N5O2 MolecularWeight: 465.63086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C3CCC4=C(C3)C(=NN4C)C(=O)N5CCCCCC5

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C3CCC4=C(C3)C(=NN4C)C(=O)N5CCCCCC5

InChI

InChI=1S/C27H39N5O2/c1-3-34-25-11-7-6-10-24(25)31-18-16-30(17-19-31)21-12-13-23-22(20-21)26(28-29(23)2)27(33)32-14-8-4-5-9-15-32/h6-7,10-11,21H,3-5,8-9,12-20H2,1-2H3