N-[4-[2-(4-chlorophenyl)-7-methyl-4H-1,3,4-benzotriazepin-5-yl]phenyl]benzamide

Systemtic Name: N-[4-[2-(4-chlorophenyl)-7-methyl-4H-1,3,4-benzotriazepin-5-yl]phenyl]benzamide Openeye Name: N-[4-[2-(4-chlorophenyl)-7-methyl-4H-1,3,4-benzotriazepin-5-yl]phenyl]benzamide CAS Name: N-[4-[2-(4-chlorophenyl)-7-methyl-4H-1,3,4-benzotriazepin-5-yl]phenyl]benzamide IUPAC Name: N-[4-[2-(4-chlorophenyl)-7-methyl-4H-1,3,4-benzotriazepin-5-yl]phenyl]benzamide Traditional Name: N-[4-[2-(4-chlorophenyl)-7-methyl-4H-1,3,4-benzotriazepin-5-yl]phenyl]benzamide Formula: C28H21ClN4O MolecularWeight: 464.94554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H21ClN4O/c1-18-7-16-25-24(17-18)26(32-33-27(31-25)20-8-12-22(29)13-9-20)19-10-14-23(15-11-19)30-28(34)21-5-3-2-4-6-21/h2-17,32H,1H3,(H,30,34)