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

Systemtic Name: N-[3-(cyclohexylcarbamoyl)-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)-3-(cyclohexylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[(cyclohexylamino)-oxomethyl]-4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)-3-(cyclohexylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)-3-(cyclohexylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C35H46N4O2 MolecularWeight: 554.76534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)N6CCN(CC6)CC7=CC=CC=C7

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)N6CCN(CC6)CC7=CC=CC=C7

InChI

InChI=1S/C35H46N4O2/c40-33(36-29-9-5-2-6-10-29)31-20-30(37-34(41)35-21-26-17-27(22-35)19-28(18-26)23-35)11-12-32(31)39-15-13-38(14-16-39)24-25-7-3-1-4-8-25/h1,3-4,7-8,11-12,20,26-29H,2,5-6,9-10,13-19,21-24H2,(H,36,40)(H,37,41)