2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-3-phenyl-propanoic acid Openeye Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-3-phenyl-propanoic acid CAS Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-3-phenylpropanoic acid IUPAC Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-3-phenylpropanoic acid Traditional Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylamino)-3-phenyl-propionic acid Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=CC=CC=C2C3=C1C(=NC=N3)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CNC2=CC=CC=C2C3=C1C(=NC=N3)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H20N4O2/c26-21(27)18(12-14-6-2-1-3-7-14)25-20-16-10-11-22-17-9-5-4-8-15(17)19(16)23-13-24-20/h1-9,13,18,22H,10-12H2,(H,26,27)(H,23,24,25)