N-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]piperidin-4-yl]-4-iodanyl-1,3-benzoxazol-2-amine

Systemtic Name: N-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]piperidin-4-yl]-4-iodanyl-1,3-benzoxazol-2-amine Openeye Name: N-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]-4-piperidyl]-4-iodo-1,3-benzoxazol-2-amine CAS Name: N-[1-[[3,5-diethoxy-4-(1-pyrrolyl)phenyl]methyl]-4-piperidinyl]-4-iodo-1,3-benzoxazol-2-amine IUPAC Name: N-[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-4-iodo-1,3-benzoxazol-2-amine Traditional Name: [1-(3,5-diethoxy-4-pyrrol-1-yl-benzyl)-4-piperidyl]-(4-iodo-1,3-benzoxazol-2-yl)amine Formula: C27H31IN4O3 MolecularWeight: 586.46451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CN3CCC(CC3)NC4=NC5=C(O4)C=CC=C5I

Isomeric SMILES

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CN3CCC(CC3)NC4=NC5=C(O4)C=CC=C5I

InChI

InChI=1S/C27H31IN4O3/c1-3-33-23-16-19(17-24(34-4-2)26(23)32-12-5-6-13-32)18-31-14-10-20(11-15-31)29-27-30-25-21(28)8-7-9-22(25)35-27/h5-9,12-13,16-17,20H,3-4,10-11,14-15,18H2,1-2H3,(H,29,30)