3-(azepan-1-yl)-1-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-one

Systemtic Name: 3-(azepan-1-yl)-1-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-one Openeye Name: 3-(azepan-1-yl)-1-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-one CAS Name: 3-(1-azepanyl)-1-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)-1-propanone IUPAC Name: 3-(azepan-1-yl)-1-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-one Traditional Name: 3-(azepan-1-yl)-1-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-one Formula: C22H29N3O MolecularWeight: 351.48516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC(=O)C2=NN(C3=C2CCCC3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CCC(=O)C2=NN(C3=C2CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H29N3O/c26-21(14-17-24-15-8-1-2-9-16-24)22-19-12-6-7-13-20(19)25(23-22)18-10-4-3-5-11-18/h3-5,10-11H,1-2,6-9,12-17H2