4-[3-(azepan-1-ylcarbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]piperazine-1-carbaldehyde

Systemtic Name: 4-[3-(azepan-1-ylcarbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]piperazine-1-carbaldehyde Openeye Name: 4-[1-allyl-3-(azepane-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]piperazine-1-carbaldehyde CAS Name: 4-[3-[1-azepanyl(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[3-(azepane-1-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]piperazine-1-carbaldehyde Traditional Name: 4-[1-allyl-3-(azepane-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]piperazine-1-carbaldehyde Formula: C22H33N5O2 MolecularWeight: 399.52972

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)N3CCN(CC3)C=O)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

C=CCN1C2=C(CC(CC2)N3CCN(CC3)C=O)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H33N5O2/c1-2-9-27-20-8-7-18(25-14-12-24(17-28)13-15-25)16-19(20)21(23-27)22(29)26-10-5-3-4-6-11-26/h2,17-18H,1,3-16H2