6-[2-(2-ethylphenyl)-5-[4-(5-methylthiophen-2-yl)carbonylpiperazin-1-yl]carbonyl-pyrazol-3-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(2-ethylphenyl)-5-[4-(5-methylthiophen-2-yl)carbonylpiperazin-1-yl]carbonyl-pyrazol-3-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(2-ethylphenyl)-5-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]pyrazol-3-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(2-ethylphenyl)-5-[[4-[(5-methyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-3-pyrazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(2-ethylphenyl)-5-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]pyrazol-3-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(2-ethylphenyl)-5-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]pyrazol-3-yl]-4H-1,4-benzoxazin-3-one Formula: C30H29N5O4S MolecularWeight: 555.64736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=CC(=N2)C(=O)N3CCN(CC3)C(=O)C4=CC=C(S4)C)C5=CC6=C(C=C5)OCC(=O)N6

Isomeric SMILES

CCC1=CC=CC=C1N2C(=CC(=N2)C(=O)N3CCN(CC3)C(=O)C4=CC=C(S4)C)C5=CC6=C(C=C5)OCC(=O)N6

InChI

InChI=1S/C30H29N5O4S/c1-3-20-6-4-5-7-24(20)35-25(21-9-10-26-22(16-21)31-28(36)18-39-26)17-23(32-35)29(37)33-12-14-34(15-13-33)30(38)27-11-8-19(2)40-27/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,31,36)