azepan-1-yl-[5-[4-(hydroxymethyl)piperidin-1-yl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[5-[4-(hydroxymethyl)piperidin-1-yl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [1-allyl-5-[4-(hydroxymethyl)-1-piperidyl]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[5-[4-(hydroxymethyl)-1-piperidinyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-[4-(hydroxymethyl)piperidin-1-yl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [1-allyl-5-(4-methylolpiperidino)-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C23H36N4O2 MolecularWeight: 400.55754

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)N3CCC(CC3)CO)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

C=CCN1C2=C(CC(CC2)N3CCC(CC3)CO)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H36N4O2/c1-2-11-27-21-8-7-19(25-14-9-18(17-28)10-15-25)16-20(21)22(24-27)23(29)26-12-5-3-4-6-13-26/h2,18-19,28H,1,3-17H2