N-[(3S)-1-[4-(2-cyanophenyl)piperazin-1-yl]carbonylpiperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide

Systemtic Name: N-[(3S)-1-[4-(2-cyanophenyl)piperazin-1-yl]carbonylpiperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide Openeye Name: N-[(3S)-1-[4-(2-cyanophenyl)piperazine-1-carbonyl]-3-piperidyl]-4-hydroxy-adamantane-1-carboxamide CAS Name: N-[(3S)-1-[[4-(2-cyanophenyl)-1-piperazinyl]-oxomethyl]-3-piperidinyl]-4-hydroxy-1-adamantanecarboxamide IUPAC Name: N-[(3S)-1-[4-(2-cyanophenyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide Traditional Name: N-[(3S)-1-[4-(2-cyanophenyl)piperazine-1-carbonyl]-3-piperidyl]-4-hydroxy-adamantane-1-carboxamide Formula: C28H37N5O3 MolecularWeight: 491.62508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)N2CCN(CC2)C3=CC=CC=C3C#N)NC(=O)C45CC6CC(C4)C(C(C6)C5)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)N2CCN(CC2)C3=CC=CC=C3C#N)NC(=O)C45CC6CC(C4)C(C(C6)C5)O

InChI

InChI=1S/C28H37N5O3/c29-17-20-4-1-2-6-24(20)31-8-10-32(11-9-31)27(36)33-7-3-5-23(18-33)30-26(35)28-14-19-12-21(15-28)25(34)22(13-19)16-28/h1-2,4,6,19,21-23,25,34H,3,5,7-16,18H2,(H,30,35)/t19?,21?,22?,23-,25?,28?/m0/s1