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

Systemtic Name: azepan-1-yl-[5-[methyl(thiophen-2-ylmethyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [1-allyl-5-[methyl(2-thienylmethyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[5-[methyl(thiophen-2-ylmethyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-[methyl(thiophen-2-ylmethyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [1-allyl-5-[methyl(2-thenyl)amino]-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:

CN(CC1=CC=CS1)C2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCCCCC4

Isomeric SMILES

CN(CC1=CC=CS1)C2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H32N4OS/c1-3-12-27-21-11-10-18(25(2)17-19-9-8-15-29-19)16-20(21)22(24-27)23(28)26-13-6-4-5-7-14-26/h3,8-9,15,18H,1,4-7,10-14,16-17H2,2H3