4-methyl-2-[(phenylmethyl)amino]-3-pyridin-3-ylcarbonyl-1,3,4-benzotriazepin-5-one

Systemtic Name: 4-methyl-2-[(phenylmethyl)amino]-3-pyridin-3-ylcarbonyl-1,3,4-benzotriazepin-5-one Openeye Name: 2-(benzylamino)-4-methyl-3-(pyridine-3-carbonyl)-1,3,4-benzotriazepin-5-one CAS Name: 4-methyl-3-[oxo(3-pyridinyl)methyl]-2-[(phenylmethyl)amino]-1,3,4-benzotriazepin-5-one IUPAC Name: 2-(benzylamino)-4-methyl-3-(pyridine-3-carbonyl)-1,3,4-benzotriazepin-5-one Traditional Name: 2-(benzylamino)-4-methyl-3-nicotinoyl-1,3,4-benzotriazepin-5-one Formula: C22H19N5O2 MolecularWeight: 385.41856

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C(N1C(=O)C3=CN=CC=C3)NCC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C(N1C(=O)C3=CN=CC=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C22H19N5O2/c1-26-21(29)18-11-5-6-12-19(18)25-22(24-14-16-8-3-2-4-9-16)27(26)20(28)17-10-7-13-23-15-17/h2-13,15H,14H2,1H3,(H,24,25)