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

Systemtic Name: azepan-1-yl-[1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: azepan-1-yl-[1-propyl-5-[2-(4-pyridyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone CAS Name: 1-azepanyl-[1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: azepan-1-yl-[1-propyl-5-[2-(4-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=CC=NC=C3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C24H35N5O/c1-2-15-29-22-8-7-20(26-14-11-19-9-12-25-13-10-19)18-21(22)23(27-29)24(30)28-16-5-3-4-6-17-28/h9-10,12-13,20,26H,2-8,11,14-18H2,1H3