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

Systemtic Name: azepan-1-yl-[1-prop-2-enyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [1-allyl-5-[2-(4-pyridyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[1-prop-2-enyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[1-prop-2-enyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [1-allyl-5-[2-(4-pyridyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C24H33N5O MolecularWeight: 407.55172

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)NCCC3=CC=NC=C3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

C=CCN1C2=C(CC(CC2)NCCC3=CC=NC=C3)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H33N5O/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/h2,9-10,12-13,20,26H,1,3-8,11,14-18H2