11-(6-pyrrolidin-1-ylhex-4-ynoyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

Systemtic Name: 11-(6-pyrrolidin-1-ylhex-4-ynoyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Openeye Name: 11-(6-pyrrolidin-1-ylhex-4-ynoyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one CAS Name: 11-[1-oxo-6-(1-pyrrolidinyl)hex-4-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one IUPAC Name: 11-(6-pyrrolidin-1-ylhex-4-ynoyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Traditional Name: 11-(6-pyrrolidinohex-4-ynoyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CCCC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

Isomeric SMILES

C1CCN(C1)CC#CCCC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

InChI

InChI=1S/C22H22N4O2/c27-20(12-2-1-5-14-25-15-6-7-16-25)26-19-11-4-3-9-17(19)22(28)24-18-10-8-13-23-21(18)26/h3-4,8-11,13H,2,6-7,12,14-16H2,(H,24,28)