7,8-diethoxy-5-[4-[3-(pyrimidin-2-ylamino)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 7,8-diethoxy-5-[4-[3-(pyrimidin-2-ylamino)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 7,8-diethoxy-5-[4-[3-(pyrimidin-2-ylamino)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 7,8-diethoxy-5-[4-[3-(2-pyrimidinylamino)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 7,8-diethoxy-5-[4-[3-(pyrimidin-2-ylamino)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 7,8-diethoxy-5-[4-[3-(2-pyrimidylamino)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NCC(=O)N2)C3=CC=C(C=C3)CCCNC4=NC=CC=N4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NCC(=O)N2)C3=CC=C(C=C3)CCCNC4=NC=CC=N4)OCC

InChI

InChI=1S/C26H29N5O3/c1-3-33-22-15-20-21(16-23(22)34-4-2)31-24(32)17-30-25(20)19-10-8-18(9-11-19)7-5-12-27-26-28-13-6-14-29-26/h6,8-11,13-16H,3-5,7,12,17H2,1-2H3,(H,31,32)(H,27,28,29)