4-azanyl-5-chloranyl-2-pent-3-yn-2-yloxy-N-[2-(phenylmethyl)-1H-pyrrol-3-yl]benzenecarboximidate

Systemtic Name: 4-azanyl-5-chloranyl-2-pent-3-yn-2-yloxy-N-[2-(phenylmethyl)-1H-pyrrol-3-yl]benzenecarboximidate Openeye Name: 4-amino-N-(2-benzyl-1H-pyrrol-3-yl)-5-chloro-2-(1-methylbut-2-ynoxy)benzenecarboximidate CAS Name: 4-amino-5-chloro-2-pent-3-yn-2-yloxy-N-[2-(phenylmethyl)-1H-pyrrol-3-yl]benzenecarboximidate IUPAC Name: 4-amino-N-(2-benzyl-1H-pyrrol-3-yl)-5-chloro-2-pent-3-yn-2-yloxybenzenecarboximidate Traditional Name: 4-amino-N-(2-benzyl-1H-pyrrol-3-yl)-5-chloro-2-(1-methylbut-2-ynoxy)benzenecarboximidate Formula: C23H21ClN3O2- MolecularWeight: 406.88474

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C)OC1=CC(=C(C=C1C(=NC2=C(NC=C2)CC3=CC=CC=C3)[O-])Cl)N

Isomeric SMILES

CC#CC(C)OC1=CC(=C(C=C1C(=NC2=C(NC=C2)CC3=CC=CC=C3)[O-])Cl)N

InChI

InChI=1S/C23H22ClN3O2/c1-3-7-15(2)29-22-14-19(25)18(24)13-17(22)23(28)27-20-10-11-26-21(20)12-16-8-5-4-6-9-16/h4-6,8-11,13-15,26H,12,25H2,1-2H3,(H,27,28)/p-1