6-butyl-11-[2-(dibutylamino)ethanoyl]-2-phenyl-pyrimido[4,5-b][1,5]benzodiazepin-5-one

Systemtic Name: 6-butyl-11-[2-(dibutylamino)ethanoyl]-2-phenyl-pyrimido[4,5-b][1,5]benzodiazepin-5-one Openeye Name: 6-butyl-11-[2-(dibutylamino)acetyl]-2-phenyl-pyrimido[4,5-b][1,5]benzodiazepin-5-one CAS Name: 6-butyl-11-[2-(dibutylamino)-1-oxoethyl]-2-phenyl-5-pyrimido[4,5-b][1,5]benzodiazepinone IUPAC Name: 6-butyl-11-[2-(dibutylamino)acetyl]-2-phenylpyrimido[4,5-b][1,5]benzodiazepin-5-one Traditional Name: 6-butyl-11-[2-(dibutylamino)acetyl]-2-phenyl-pyrimido[4,5-b][1,5]benzodiazepin-5-one Formula: C31H39N5O2 MolecularWeight: 513.67366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N(C3=NC(=NC=C3C1=O)C4=CC=CC=C4)C(=O)CN(CCCC)CCCC

Isomeric SMILES

CCCCN1C2=CC=CC=C2N(C3=NC(=NC=C3C1=O)C4=CC=CC=C4)C(=O)CN(CCCC)CCCC

InChI

InChI=1S/C31H39N5O2/c1-4-7-19-34(20-8-5-2)23-28(37)36-27-18-14-13-17-26(27)35(21-9-6-3)31(38)25-22-32-29(33-30(25)36)24-15-11-10-12-16-24/h10-18,22H,4-9,19-21,23H2,1-3H3