2-cyanoethyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate

Systemtic Name: 2-cyanoethyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate Openeye Name: 2-cyanoethyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate CAS Name: N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate Traditional Name: N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamic acid 2-cyanoethyl ester Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(N1CC3=CN=CN3)C=C(C=C2)NC(=O)OCCC#N

Isomeric SMILES

C1COC2=C(N1CC3=CN=CN3)C=C(C=C2)NC(=O)OCCC#N

InChI

InChI=1S/C16H17N5O3/c17-4-1-6-24-16(22)20-12-2-3-15-14(8-12)21(5-7-23-15)10-13-9-18-11-19-13/h2-3,8-9,11H,1,5-7,10H2,(H,18,19)(H,20,22)