N-[4-[4-(3-methylphenyl)piperazin-1-yl]carbonylphenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[4-(3-methylphenyl)piperazin-1-yl]carbonylphenyl]adamantane-1-carboxamide Openeye Name: N-[4-[4-(m-tolyl)piperazine-1-carbonyl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[[4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(m-tolyl)piperazine-1-carbonyl]phenyl]adamantane-1-carboxamide Formula: C29H35N3O2 MolecularWeight: 457.6071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H35N3O2/c1-20-3-2-4-26(13-20)31-9-11-32(12-10-31)27(33)24-5-7-25(8-6-24)30-28(34)29-17-21-14-22(18-29)16-23(15-21)19-29/h2-8,13,21-23H,9-12,14-19H2,1H3,(H,30,34)