3-chloranyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-chloro-adamantane-1-carboxamide CAS Name: 3-chloro-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-chloroadamantane-1-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-3-chloro-adamantane-1-carboxamide Formula: C28H34ClN3O MolecularWeight: 464.04206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)(C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)(C5)Cl

InChI

InChI=1S/C28H34ClN3O/c29-28-17-22-14-23(18-28)16-27(15-22,20-28)26(33)30-24-6-8-25(9-7-24)32-12-10-31(11-13-32)19-21-4-2-1-3-5-21/h1-9,22-23H,10-20H2,(H,30,33)