N-[4-[(4-isocyanatophenyl)methyl]phenyl]-2-oxidanylidene-azepane-1-carboxamide

Systemtic Name: N-[4-[(4-isocyanatophenyl)methyl]phenyl]-2-oxidanylidene-azepane-1-carboxamide Openeye Name: N-[4-[(4-isocyanatophenyl)methyl]phenyl]-2-oxo-azepane-1-carboxamide CAS Name: N-[4-[(4-isocyanatophenyl)methyl]phenyl]-2-oxo-1-azepanecarboxamide IUPAC Name: N-[4-[(4-isocyanatophenyl)methyl]phenyl]-2-oxoazepane-1-carboxamide Traditional Name: N-[4-(4-isocyanatobenzyl)phenyl]-2-keto-azepane-1-carboxamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)C(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)N=C=O

Isomeric SMILES

C1CCC(=O)N(CC1)C(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)N=C=O

InChI

InChI=1S/C21H21N3O3/c25-15-22-18-9-5-16(6-10-18)14-17-7-11-19(12-8-17)23-21(27)24-13-3-1-2-4-20(24)26/h5-12H,1-4,13-14H2,(H,23,27)