N-[3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-1-[4-(phenylmethyl)piperidin-1-yl]indole-5-carboxamide

Systemtic Name: N-[3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-1-[4-(phenylmethyl)piperidin-1-yl]indole-5-carboxamide Openeye Name: 1-(4-benzyl-1-piperidyl)-N-[3-(cyclohexylmethylamino)-2-hydroxy-propyl]indole-5-carboxamide CAS Name: N-[3-(cyclohexylmethylamino)-2-hydroxypropyl]-1-[4-(phenylmethyl)-1-piperidinyl]-5-indolecarboxamide IUPAC Name: 1-(4-benzylpiperidin-1-yl)-N-[3-(cyclohexylmethylamino)-2-hydroxypropyl]indole-5-carboxamide Traditional Name: 1-(4-benzylpiperidino)-N-[3-(cyclohexylmethylamino)-2-hydroxy-propyl]indole-5-carboxamide Formula: C31H42N4O2 MolecularWeight: 502.69078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNCC(CNC(=O)C2=CC3=C(C=C2)N(C=C3)N4CCC(CC4)CC5=CC=CC=C5)O

Isomeric SMILES

C1CCC(CC1)CNCC(CNC(=O)C2=CC3=C(C=C2)N(C=C3)N4CCC(CC4)CC5=CC=CC=C5)O

InChI

InChI=1S/C31H42N4O2/c36-29(22-32-21-26-9-5-2-6-10-26)23-33-31(37)28-11-12-30-27(20-28)15-18-35(30)34-16-13-25(14-17-34)19-24-7-3-1-4-8-24/h1,3-4,7-8,11-12,15,18,20,25-26,29,32,36H,2,5-6,9-10,13-14,16-17,19,21-23H2,(H,33,37)