N-(4-azanylcyclohexyl)-4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)ethanoylamino]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)ethanoylamino]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)piperazino]-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide Formula: C30H39N5O4 MolecularWeight: 533.66176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C30H39N5O4/c1-39-25-11-2-20(3-12-25)18-28(36)33-26-19-22(29(37)32-24-9-7-23(31)8-10-24)6-13-27(26)34-14-16-35(17-15-34)30(38)21-4-5-21/h2-3,6,11-13,19,21,23-24H,4-5,7-10,14-18,31H2,1H3,(H,32,37)(H,33,36)