5-(phenylmethyl)-1-[(phenylmethyl)amino]-11H-pyrimido[4,5-c][2]benzazepin-6-one

Systemtic Name: 5-(phenylmethyl)-1-[(phenylmethyl)amino]-11H-pyrimido[4,5-c][2]benzazepin-6-one Openeye Name: 5-benzyl-1-(benzylamino)-11H-pyrimido[4,5-c][2]benzazepin-6-one CAS Name: 5-(phenylmethyl)-1-[(phenylmethyl)amino]-11H-pyrimido[4,5-c][2]benzazepin-6-one IUPAC Name: 5-benzyl-1-(benzylamino)-11H-pyrimido[4,5-c][2]benzazepin-6-one Traditional Name: 5-benzyl-1-(benzylamino)-11H-pyrimido[4,5-c][2]benzazepin-6-one Formula: C26H22N4O MolecularWeight: 406.47908

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C3=C1C(=NC=N3)NCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C3=C1C(=NC=N3)NCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H22N4O/c31-26-22-14-8-7-13-21(22)15-23-24(27-16-19-9-3-1-4-10-19)28-18-29-25(23)30(26)17-20-11-5-2-6-12-20/h1-14,18H,15-17H2,(H,27,28,29)