N-[[4-[[3-(aminocarbonylamino)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[[3-(aminocarbonylamino)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[(3-ureidophenyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[3-(carbamoylamino)anilino]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[[3-(carbamoylamino)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[(3-ureidophenyl)carbamoyl]benzyl]adamantane-1-carboxamide Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NC5=CC(=CC=C5)NC(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NC5=CC(=CC=C5)NC(=O)N

InChI

InChI=1S/C26H30N4O3/c27-25(33)30-22-3-1-2-21(11-22)29-23(31)20-6-4-16(5-7-20)15-28-24(32)26-12-17-8-18(13-26)10-19(9-17)14-26/h1-7,11,17-19H,8-10,12-15H2,(H,28,32)(H,29,31)(H3,27,30,33)