N-(4-azanylcyclohexyl)-4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-3-(2-phenylethanoylamino)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-3-(2-phenylethanoylamino)benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-[(2-phenylacetyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]-3-[(1-oxo-2-phenylethyl)amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-[(2-phenylacetyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-[(2-phenylacetyl)amino]benzamide Formula: C30H39N5O3 MolecularWeight: 517.66236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C30H39N5O3/c31-24-10-12-25(13-11-24)32-29(37)23-9-14-27(26(20-23)33-28(36)19-21-5-2-1-3-6-21)34-15-4-16-35(18-17-34)30(38)22-7-8-22/h1-3,5-6,9,14,20,22,24-25H,4,7-8,10-13,15-19,31H2,(H,32,37)(H,33,36)