N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

Systemtic Name: N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide Openeye Name: N-[5-[(3-nitrophenyl)methyl]thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide CAS Name: N-[5-[(3-nitrophenyl)methyl]-2-thiazolyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide IUPAC Name: N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide Traditional Name: N-[5-(3-nitrobenzyl)thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1C=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CNCC2=C1C=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O3S/c25-19(15-4-5-16-11-21-7-6-14(16)10-15)23-20-22-12-18(28-20)9-13-2-1-3-17(8-13)24(26)27/h1-5,8,10,12,21H,6-7,9,11H2,(H,22,23,25)