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

Systemtic Name: N-[(3S)-1-[4-(4-cyanophenyl)piperidin-1-yl]carbonylpiperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide Openeye Name: N-[(3S)-1-[4-(4-cyanophenyl)piperidine-1-carbonyl]-3-piperidyl]-4-hydroxy-adamantane-1-carboxamide CAS Name: N-[(3S)-1-[[4-(4-cyanophenyl)-1-piperidinyl]-oxomethyl]-3-piperidinyl]-4-hydroxy-1-adamantanecarboxamide IUPAC Name: N-[(3S)-1-[4-(4-cyanophenyl)piperidine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide Traditional Name: N-[(3S)-1-[4-(4-cyanophenyl)piperidine-1-carbonyl]-3-piperidyl]-4-hydroxy-adamantane-1-carboxamide Formula: C29H38N4O3 MolecularWeight: 490.63702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N)NC(=O)C45CC6CC(C4)C(C(C6)C5)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N)NC(=O)C45CC6CC(C4)C(C(C6)C5)O

InChI

InChI=1S/C29H38N4O3/c30-17-19-3-5-21(6-4-19)22-7-10-32(11-8-22)28(36)33-9-1-2-25(18-33)31-27(35)29-14-20-12-23(15-29)26(34)24(13-20)16-29/h3-6,20,22-26,34H,1-2,7-16,18H2,(H,31,35)/t20?,23?,24?,25-,26?,29?/m0/s1