1-(4-chlorophenyl)-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)urea

Systemtic Name: 1-(4-chlorophenyl)-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)urea Openeye Name: 1-(4-chlorophenyl)-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)urea CAS Name: 1-(4-chlorophenyl)-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)urea IUPAC Name: 1-(4-chlorophenyl)-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)urea Traditional Name: 1-(4-chlorophenyl)-3-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)urea Formula: C12H16ClN5O MolecularWeight: 281.74134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C(NC1)NNC(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CCN=C(NC1)NNC(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H16ClN5O/c13-9-3-5-10(6-4-9)16-12(19)18-17-11-14-7-1-2-8-15-11/h3-6H,1-2,7-8H2,(H2,14,15,17)(H2,16,18,19)