4-bromanyl-N-[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-N-[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[5-chloro-2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[5-chloro-2-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-3-methoxy-2-naphthamide Formula: C31H27BrClN3O3 MolecularWeight: 604.92138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1C(=O)NC3=C(C=CC(=C3)Cl)N4CCN(CC4)C(=O)C=CC5=CC=CC=C5)Br

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1C(=O)NC3=C(C=CC(=C3)Cl)N4CCN(CC4)C(=O)/C=C/C5=CC=CC=C5)Br

InChI

InChI=1S/C31H27BrClN3O3/c1-39-30-25(19-22-9-5-6-10-24(22)29(30)32)31(38)34-26-20-23(33)12-13-27(26)35-15-17-36(18-16-35)28(37)14-11-21-7-3-2-4-8-21/h2-14,19-20H,15-18H2,1H3,(H,34,38)/b14-11+