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

Systemtic Name: 3-azanyl-N-(4-azanylcyclohexyl)-4-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: 3-amino-N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]benzamide Formula: C22H33N5O2 MolecularWeight: 399.52972

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O2/c23-17-5-7-18(8-6-17)25-21(28)16-4-9-20(19(24)14-16)26-10-1-11-27(13-12-26)22(29)15-2-3-15/h4,9,14-15,17-18H,1-3,5-8,10-13,23-24H2,(H,25,28)