N5-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]piperidin-4-yl]-3-methyl-pyridine-2,5-diamine

Systemtic Name: N5-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]piperidin-4-yl]-3-methyl-pyridine-2,5-diamine Openeye Name: N5-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]-4-piperidyl]-3-methyl-pyridine-2,5-diamine CAS Name: N5-[1-[[3,5-diethoxy-4-(1-pyrrolyl)phenyl]methyl]-4-piperidinyl]-3-methylpyridine-2,5-diamine IUPAC Name: 5-N-[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-3-methylpyridine-2,5-diamine Traditional Name: (6-amino-5-methyl-3-pyridyl)-[1-(3,5-diethoxy-4-pyrrol-1-yl-benzyl)-4-piperidyl]amine Formula: C26H35N5O2 MolecularWeight: 449.5884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CN3CCC(CC3)NC4=CN=C(C(=C4)C)N

Isomeric SMILES

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CN3CCC(CC3)NC4=CN=C(C(=C4)C)N

InChI

InChI=1S/C26H35N5O2/c1-4-32-23-15-20(16-24(33-5-2)25(23)31-10-6-7-11-31)18-30-12-8-21(9-13-30)29-22-14-19(3)26(27)28-17-22/h6-7,10-11,14-17,21,29H,4-5,8-9,12-13,18H2,1-3H3,(H2,27,28)