N-(4-azanylcyclohexyl)-3-(cyclopropylcarbonylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-(cyclopropylcarbonylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-(4-benzoylpiperazin-1-yl)-3-(cyclopropanecarbonylamino)benzamide CAS Name: N-(4-aminocyclohexyl)-4-(4-benzoyl-1-piperazinyl)-3-[[cyclopropyl(oxo)methyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-(4-benzoylpiperazin-1-yl)-3-(cyclopropanecarbonylamino)benzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-benzoylpiperazino)-3-(cyclopropanecarbonylamino)benzamide Formula: C28H35N5O3 MolecularWeight: 489.6092

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H35N5O3/c29-22-9-11-23(12-10-22)30-27(35)21-8-13-25(24(18-21)31-26(34)19-6-7-19)32-14-16-33(17-15-32)28(36)20-4-2-1-3-5-20/h1-5,8,13,18-19,22-23H,6-7,9-12,14-17,29H2,(H,30,35)(H,31,34)