1-[4-(2-cyanophenyl)imino-3,1-benzoxazin-2-yl]-1,3-bis(phenylmethyl)urea

Systemtic Name: 1-[4-(2-cyanophenyl)imino-3,1-benzoxazin-2-yl]-1,3-bis(phenylmethyl)urea Openeye Name: 1,3-dibenzyl-1-[4-(2-cyanophenyl)imino-3,1-benzoxazin-2-yl]urea CAS Name: 1-[4-(2-cyanophenyl)imino-3,1-benzoxazin-2-yl]-1,3-bis(phenylmethyl)urea IUPAC Name: 1,3-dibenzyl-1-[4-(2-cyanophenyl)imino-3,1-benzoxazin-2-yl]urea Traditional Name: 1,3-dibenzyl-1-[4-(2-cyanophenyl)imino-3,1-benzoxazin-2-yl]urea Formula: C30H23N5O2 MolecularWeight: 485.53592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)N(CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=NC5=CC=CC=C5C#N)O3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)N(CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=NC5=CC=CC=C5C#N)O3

InChI

InChI=1S/C30H23N5O2/c31-19-24-15-7-9-17-26(24)33-28-25-16-8-10-18-27(25)34-30(37-28)35(21-23-13-5-2-6-14-23)29(36)32-20-22-11-3-1-4-12-22/h1-18H,20-21H2,(H,32,36)