N-[3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[4-(o-tolylmethyl)piperazin-1-yl]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-[4-(2-methylbenzyl)piperazino]propyl]adamantane-1-carboxamide Formula: C26H37N3O2 MolecularWeight: 423.59088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H37N3O2/c1-19-4-2-3-5-23(19)18-28-8-10-29(11-9-28)24(30)6-7-27-25(31)26-15-20-12-21(16-26)14-22(13-20)17-26/h2-5,20-22H,6-18H2,1H3,(H,27,31)