N-[5-chloranyl-2-[(E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]phenyl]-1-ethanoyl-piperidine-4-carboxamide

Systemtic Name: N-[5-chloranyl-2-[(E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]phenyl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[5-chloro-2-[(E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-3-oxo-prop-1-enyl]phenyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[5-chloro-2-[(E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-3-oxoprop-1-enyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[5-chloro-2-[(E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-3-oxoprop-1-enyl]phenyl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[5-chloro-2-[(E)-3-[(2R)-4-(4-fluorobenzyl)-2-methyl-piperazino]-3-keto-prop-1-enyl]phenyl]isonipecotamide Formula: C29H34ClFN4O3 MolecularWeight: 541.056663

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C=CC2=C(C=C(C=C2)Cl)NC(=O)C3CCN(CC3)C(=O)C)CC4=CC=C(C=C4)F

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)/C=C/C2=C(C=C(C=C2)Cl)NC(=O)C3CCN(CC3)C(=O)C)CC4=CC=C(C=C4)F

InChI

InChI=1S/C29H34ClFN4O3/c1-20-18-33(19-22-3-8-26(31)9-4-22)15-16-35(20)28(37)10-6-23-5-7-25(30)17-27(23)32-29(38)24-11-13-34(14-12-24)21(2)36/h3-10,17,20,24H,11-16,18-19H2,1-2H3,(H,32,38)/b10-6+/t20-/m1/s1