N-[2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]cyclopropanecarboxamide

Systemtic Name: N-[2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]cyclopropanecarboxamide Openeye Name: N-[2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclopropanecarboxamide CAS Name: N-[2-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclopropanecarboxamide Traditional Name: N-[2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclopropanecarboxamide Formula: C27H32FN5O3 MolecularWeight: 493.573083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)F)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5CC5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)F)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5CC5

InChI

InChI=1S/C27H32FN5O3/c28-22-7-4-20(5-8-22)26(35)32-13-1-12-31(16-17-32)24-9-6-21(27(36)33-14-10-29-11-15-33)18-23(24)30-25(34)19-2-3-19/h4-9,18-19,29H,1-3,10-17H2,(H,30,34)