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

Systemtic Name: (4-cyanophenyl)methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate Openeye Name: (4-cyanophenyl)methyl 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 (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 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 (4-cyanobenzyl) ester Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(N1CC3=CN=CN3)C=C(C=C2)NC(=O)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1COC2=C(N1CC3=CN=CN3)C=C(C=C2)NC(=O)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H19N5O3/c22-10-15-1-3-16(4-2-15)13-29-21(27)25-17-5-6-20-19(9-17)26(7-8-28-20)12-18-11-23-14-24-18/h1-6,9,11,14H,7-8,12-13H2,(H,23,24)(H,25,27)