N-[1-[(3-chloranylphenoxy)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

Systemtic Name: N-[1-[(3-chloranylphenoxy)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide Openeye Name: N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide CAS Name: N-[1-[(3-chlorophenoxy)methyl]-4-pyrazolyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide IUPAC Name: N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide Traditional Name: N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide Formula: C20H19ClN4O2 MolecularWeight: 382.84346

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1C=C(C=C2)C(=O)NC3=CN(N=C3)COC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CNCC2=C1C=C(C=C2)C(=O)NC3=CN(N=C3)COC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H19ClN4O2/c21-17-2-1-3-19(9-17)27-13-25-12-18(11-23-25)24-20(26)15-4-5-16-10-22-7-6-14(16)8-15/h1-5,8-9,11-12,22H,6-7,10,13H2,(H,24,26)