4-tert-butyl-N-[2-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]benzamide Openeye Name: 4-tert-butyl-N-[2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide CAS Name: 4-tert-butyl-N-[2-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Traditional Name: 4-tert-butyl-N-[2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Formula: C31H41N5O3 MolecularWeight: 531.68894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5CC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C31H41N5O3/c1-31(2,3)25-10-7-22(8-11-25)28(37)33-26-21-24(30(39)36-17-13-32-14-18-36)9-12-27(26)34-15-4-16-35(20-19-34)29(38)23-5-6-23/h7-12,21,23,32H,4-6,13-20H2,1-3H3,(H,33,37)