4-[4-(diphenylmethyl)piperazin-1-yl]but-2-ynyl N-(4-chlorophenyl)carbamate

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]but-2-ynyl N-(4-chlorophenyl)carbamate Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)but-2-ynyl N-(4-chlorophenyl)carbamate CAS Name: N-(4-chlorophenyl)carbamic acid 4-[4-(diphenylmethyl)-1-piperazinyl]but-2-ynyl ester IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)but-2-ynyl N-(4-chlorophenyl)carbamate Traditional Name: N-(4-chlorophenyl)carbamic acid 4-(4-benzhydrylpiperazino)but-2-ynyl ester Formula: C28H28ClN3O2 MolecularWeight: 473.99382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#CCOC(=O)NC2=CC=C(C=C2)Cl)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC#CCOC(=O)NC2=CC=C(C=C2)Cl)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H28ClN3O2/c29-25-13-15-26(16-14-25)30-28(33)34-22-8-7-17-31-18-20-32(21-19-31)27(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-6,9-16,27H,17-22H2,(H,30,33)