2-azanylethanoyl 1-azanylisoquinoline-7-carboxylate; 5-phenyl-2,3-dihydro-1H-indene-1-carboxamide

Systemtic Name: 2-azanylethanoyl 1-azanylisoquinoline-7-carboxylate; 5-phenyl-2,3-dihydro-1H-indene-1-carboxamide Openeye Name: (2-aminoacetyl) 1-aminoisoquinoline-7-carboxylate; 5-phenylindane-1-carboxamide CAS Name: 1-amino-7-isoquinolinecarboxylic acid (2-amino-1-oxoethyl) ester; 5-phenyl-2,3-dihydro-1H-indene-1-carboxamide IUPAC Name: (2-aminoacetyl) 1-aminoisoquinoline-7-carboxylate; 5-phenyl-2,3-dihydro-1H-indene-1-carboxamide Traditional Name: 1-aminoisoquinoline-7-carboxylic acid glycyl ester; 5-phenylindane-1-carboxamide Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1C(=O)N)C=CC(=C2)C3=CC=CC=C3.C1=CC(=CC2=C1C=CN=C2N)C(=O)OC(=O)CN

Isomeric SMILES

C1CC2=C(C1C(=O)N)C=CC(=C2)C3=CC=CC=C3.C1=CC(=CC2=C1C=CN=C2N)C(=O)OC(=O)CN

InChI

InChI=1S/C16H15NO.C12H11N3O3/c17-16(18)15-9-7-13-10-12(6-8-14(13)15)11-4-2-1-3-5-11;13-6-10(16)18-12(17)8-2-1-7-3-4-15-11(14)9(7)5-8/h1-6,8,10,15H,7,9H2,(H2,17,18);1-5H,6,13H2,(H2,14,15)