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

Systemtic Name: azepan-1-yl-[5-[methyl(thiophen-3-ylmethyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [1-allyl-5-[methyl(3-thienylmethyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[5-[methyl(3-thiophenylmethyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-[methyl(thiophen-3-ylmethyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [1-allyl-5-[methyl(3-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=CSC=C1)C2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCCCCC4

Isomeric SMILES

CN(CC1=CSC=C1)C2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCCCCC4

InChI

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