methyl N-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepin-7-yl]carbamate

Systemtic Name: methyl N-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepin-7-yl]carbamate Openeye Name: methyl N-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepin-7-yl]carbamate CAS Name: N-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepin-7-yl]carbamic acid methyl ester IUPAC Name: methyl N-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepin-7-yl]carbamate Traditional Name: N-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzoxazepin-7-yl]carbamic acid methyl ester Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC2=C(C=C1)OCCCN2CC3=CN=CN3

Isomeric SMILES

COC(=O)NC1=CC2=C(C=C1)OCCCN2CC3=CN=CN3

InChI

InChI=1S/C15H18N4O3/c1-21-15(20)18-11-3-4-14-13(7-11)19(5-2-6-22-14)9-12-8-16-10-17-12/h3-4,7-8,10H,2,5-6,9H2,1H3,(H,16,17)(H,18,20)