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

Systemtic Name: 3-chloranyl-N-[2-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]benzamide Openeye Name: 3-chloro-N-[2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide CAS Name: 3-chloro-N-[2-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]benzamide IUPAC Name: 3-chloro-N-[2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Traditional Name: 3-chloro-N-[2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide Formula: C27H32ClN5O3 MolecularWeight: 510.02768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H32ClN5O3/c28-22-4-1-3-20(17-22)25(34)30-23-18-21(27(36)33-13-9-29-10-14-33)7-8-24(23)31-11-2-12-32(16-15-31)26(35)19-5-6-19/h1,3-4,7-8,17-19,29H,2,5-6,9-16H2,(H,30,34)