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

Systemtic Name: N-(4-azanylcyclohexyl)-3-benzamido-4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]benzamide Formula: C29H37N5O3 MolecularWeight: 503.63578

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H37N5O3/c30-23-10-12-24(13-11-23)31-28(36)22-9-14-26(25(19-22)32-27(35)20-5-2-1-3-6-20)33-15-4-16-34(18-17-33)29(37)21-7-8-21/h1-3,5-6,9,14,19,21,23-24H,4,7-8,10-13,15-18,30H2,(H,31,36)(H,32,35)