[4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-piperidin-1-yl-methanone Openeye Name: [4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-(1-piperidyl)methanone CAS Name: [4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-piperidin-1-ylmethanone Traditional Name: [4-[13-(4-chlorophenyl)tridec-12-ynylamino]phenyl]-piperidino-methanone Formula: C31H41ClN2O MolecularWeight: 493.12304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NCCCCCCCCCCCC#CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NCCCCCCCCCCCC#CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C31H41ClN2O/c32-29-20-16-27(17-21-29)15-11-8-6-4-2-1-3-5-7-9-12-24-33-30-22-18-28(19-23-30)31(35)34-25-13-10-14-26-34/h16-23,33H,1-10,12-14,24-26H2