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

Systemtic Name: azepan-1-yl-[1-prop-2-enyl-5-(2-thiophen-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [1-allyl-5-[2-(2-thienyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[1-prop-2-enyl-5-(2-thiophen-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[1-prop-2-enyl-5-(2-thiophen-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [1-allyl-5-[2-(2-thienyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C23H32N4OS MolecularWeight: 412.59138

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)NCCC3=CC=CS3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

C=CCN1C2=C(CC(CC2)NCCC3=CC=CS3)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H32N4OS/c1-2-13-27-21-10-9-18(24-12-11-19-8-7-16-29-19)17-20(21)22(25-27)23(28)26-14-5-3-4-6-15-26/h2,7-8,16,18,24H,1,3-6,9-15,17H2