N-[3-[[(2S)-butan-2-yl]carbamoyl]-4-piperidin-1-yl-phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[[(2S)-butan-2-yl]carbamoyl]-4-piperidin-1-yl-phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[[(1S)-1-methylpropyl]carbamoyl]-4-(1-piperidyl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[[(2S)-butan-2-yl]amino]-oxomethyl]-4-(1-piperidinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[(2S)-butan-2-yl]carbamoyl]-4-piperidin-1-ylphenyl]adamantane-1-carboxamide Traditional Name: N-[3-[[(1S)-1-methylpropyl]carbamoyl]-4-piperidino-phenyl]adamantane-1-carboxamide Formula: C27H39N3O2 MolecularWeight: 437.61746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCCCC5

Isomeric SMILES

CC[C@H](C)NC(=O)C1=C(C=CC(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)N5CCCCC5

InChI

InChI=1S/C27H39N3O2/c1-3-18(2)28-25(31)23-14-22(7-8-24(23)30-9-5-4-6-10-30)29-26(32)27-15-19-11-20(16-27)13-21(12-19)17-27/h7-8,14,18-21H,3-6,9-13,15-17H2,1-2H3,(H,28,31)(H,29,32)/t18-,19?,20?,21?,27?/m0/s1