4-(1H-indol-3-yl)-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butan-1-one

Systemtic Name: 4-(1H-indol-3-yl)-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butan-1-one Openeye Name: 4-(1H-indol-3-yl)-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 4-(1H-indol-3-yl)-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]butan-1-one Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCCC2=CNC3=CC=CC=C32)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCCC2=CNC3=CC=CC=C32)C4=NC=CC=N4

InChI

InChI=1S/C21H25N5O/c27-20(9-3-6-17-16-24-19-8-2-1-7-18(17)19)25-12-5-13-26(15-14-25)21-22-10-4-11-23-21/h1-2,4,7-8,10-11,16,24H,3,5-6,9,12-15H2