2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-2-phenyl-ethanoic acid

Systemtic Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-2-phenyl-ethanoic acid Openeye Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-2-phenyl-acetic acid CAS Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-2-phenylacetic acid IUPAC Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-2-phenylacetic acid Traditional Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-2-phenyl-acetic acid Formula: C20H18N4O2 MolecularWeight: 346.38252

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=CC=CC=C2C3=C1C(=NC=N3)NC(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CNC2=CC=CC=C2C3=C1C(=NC=N3)NC(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C20H18N4O2/c25-20(26)17(13-6-2-1-3-7-13)24-19-15-10-11-21-16-9-5-4-8-14(16)18(15)22-12-23-19/h1-9,12,17,21H,10-11H2,(H,25,26)(H,22,23,24)