azepan-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: azepan-1-yl-[1-propyl-5-[2-(3-pyridyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone CAS Name: 1-azepanyl-[1-propyl-5-[2-(3-pyridinyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: azepan-1-yl-[1-propyl-5-[2-(3-pyridyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone Formula: C24H35N5O MolecularWeight: 409.5676

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(CC(CC2)NCCC3=CN=CC=C3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

CCCN1C2=C(CC(CC2)NCCC3=CN=CC=C3)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H35N5O/c1-2-14-29-22-10-9-20(26-13-11-19-8-7-12-25-18-19)17-21(22)23(27-29)24(30)28-15-5-3-4-6-16-28/h7-8,12,18,20,26H,2-6,9-11,13-17H2,1H3