1-[4-(aminocarbonylamino)phenyl]-1,3-diphenyl-urea; azepan-2-one

Systemtic Name: 1-[4-(aminocarbonylamino)phenyl]-1,3-diphenyl-urea; azepan-2-one Openeye Name: azepan-2-one; 1,3-diphenyl-1-(4-ureidophenyl)urea CAS Name: 2-azepanone; 1-[4-(carbamoylamino)phenyl]-1,3-diphenylurea IUPAC Name: azepan-2-one; 1-[4-(carbamoylamino)phenyl]-1,3-diphenylurea Traditional Name: azepan-2-one; 1,3-diphenyl-1-(4-ureidophenyl)urea Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NCC1.C1=CC=C(C=C1)NC(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)N

Isomeric SMILES

C1CCC(=O)NCC1.C1=CC=C(C=C1)NC(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)N

InChI

InChI=1S/C20H18N4O2.C6H11NO/c21-19(25)22-16-11-13-18(14-12-16)24(17-9-5-2-6-10-17)20(26)23-15-7-3-1-4-8-15;8-6-4-2-1-3-5-7-6/h1-14H,(H,23,26)(H3,21,22,25);1-5H2,(H,7,8)